4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine

C129H172Cl6N14O22S — CID 159900718

IUPAC4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine
SMILESCC(C)Cc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.CC(C)Oc1cc(CC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CC(C)Oc1cc(OC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CC(C)Oc1cc(SC2=NN=CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.COCCCc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.COCCOc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1
InChIInChI=1S/C22H31ClN2O4.C22H29ClN2O3.C22H31ClN2O3.C21H25ClN4O3S.C21H29ClN2O5.C21H27ClN2O4/c1-16(2)29-20-15-17(5-4-11-26-3)24-22-18(20)6-7-19(21(22)23)28-14-10-25-8-12-27-13-9-25;1-15(2)28-20-14-17(13-16-3-4-16)24-22-18(20)5-6-19(21(22)23)27-12-9-25-7-10-26-11-8-25;1-15(2)13-17-14-20(28-16(3)4)18-5-6-19(21(23)22(18)24-17)27-12-9-25-7-10-26-11-8-25;1-14(2)29-17-13-19(30-18-5-6-23-25-18)24-21-15(17)3-4-16(20(21)22)28-12-9-26-7-10-27-11-8-26;1-15(2)29-18-14-19(28-13-12-25-3)23-21-16(18)4-5-17(20(21)22)27-11-8-24-6-9-26-10-7-24;1-14(2)27-18-13-19(28-15-3-4-15)23-21-16(18)5-6-17(20(21)22)26-12-9-24-7-10-25-11-8-24/h6-7,15-16H,4-5,8-14H2,1-3H3;5-6,14-16H,3-4,7-13H2,1-2H3;5-6,14-16H,7-13H2,1-4H3;3-4,6,13-14H,5,7-12H2,1-2H3;4-5,14-15H,6-13H2,1-3H3;5-6,13-15H,3-4,7-12H2,1-2H3
InChIKeyNVXNVWDMFIJHMS-UHFFFAOYSA-N
MW2515.66 g/mol
LogP24.49
Rot. Bonds51

About 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine

4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine (PubChem CID 159900718) has the molecular formula C129H172Cl6N14O22S and a molecular weight of 2515.66 g/mol. Its IUPAC name is 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine
PubChem CID159900718
Molecular FormulaC129H172Cl6N14O22S
Molecular Weight2515.66 g/mol
Exact Mass2511.06
IUPAC Name4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine
SMILESCC(C)Cc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.CC(C)Oc1cc(CC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CC(C)Oc1cc(OC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CC(C)Oc1cc(SC2=NN=CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.COCCCc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.COCCOc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1
InChIInChI=1S/C22H31ClN2O4.C22H29ClN2O3.C22H31ClN2O3.C21H25ClN4O3S.C21H29ClN2O5.C21H27ClN2O4/c1-16(2)29-20-15-17(5-4-11-26-3)24-22-18(20)6-7-19(21(22)23)28-14-10-25-8-12-27-13-9-25;1-15(2)28-20-14-17(13-16-3-4-16)24-22-18(20)5-6-19(21(22)23)27-12-9-25-7-10-26-11-8-25;1-15(2)13-17-14-20(28-16(3)4)18-5-6-19(21(23)22(18)24-17)27-12-9-25-7-10-26-11-8-25;1-14(2)29-17-13-19(30-18-5-6-23-25-18)24-21-15(17)3-4-16(20(21)22)28-12-9-26-7-10-27-11-8-26;1-15(2)29-18-14-19(28-13-12-25-3)23-21-16(18)4-5-17(20(21)22)27-11-8-24-6-9-26-10-7-24;1-14(2)27-18-13-19(28-15-3-4-15)23-21-16(18)5-6-17(20(21)22)26-12-9-24-7-10-25-11-8-24/h6-7,15-16H,4-5,8-14H2,1-3H3;5-6,14-16H,3-4,7-13H2,1-2H3;5-6,14-16H,7-13H2,1-4H3;3-4,6,13-14H,5,7-12H2,1-2H3;4-5,14-15H,6-13H2,1-3H3;5-6,13-15H,3-4,7-12H2,1-2H3
InChIKeyNVXNVWDMFIJHMS-UHFFFAOYSA-N
XLogP24.49
TPSA324.56 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds51
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002515.66
LogP ≤ 524.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine (CID 159900718) is 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine is CC(C)Cc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.CC(C)Oc1cc(CC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CC(C)Oc1cc(OC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CC(C)Oc1cc(SC2=NN=CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.COCCCc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.COCCOc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.
What is the InChIKey of 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine?
The InChIKey is NVXNVWDMFIJHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O4.C22H29ClN2O3.C22H31ClN2O3.C21H25ClN4O3S.C21H29ClN2O5.C21H27ClN2O4/c1-16(2)29-20-15-17(5-4-11-26-3)24-22-18(20)6-7-19(21(22)23)28-14-10-25-8-12-27-13-9-25;1-15(2)28-20-14-17(13-16-3-4-16)24-22-18(20)5-6-19(21(22)23)27-12-9-25-7-10-26-11-8-25;1-15(2)13-17-14-20(28-16(3)4)18-5-6-19(21(23)22(18)24-17)27-12-9-25-7-10-26-11-8-25;1-14(2)29-17-13-19(30-18-5-6-23-25-18)24-21-15(17)3-4-16(20(21)22)28-12-9-26-7-10-27-11-8-26;1-15(2)29-18-14-19(28-13-12-25-3)23-21-16(18)4-5-17(20(21)22)27-11-8-24-6-9-26-10-7-24;1-14(2)27-18-13-19(28-15-3-4-15)23-21-16(18)5-6-17(20(21)22)26-12-9-24-7-10-25-11-8-24/h6-7,15-16H,4-5,8-14H2,1-3H3;5-6,14-16H,3-4,7-13H2,1-2H3;5-6,14-16H,7-13H2,1-4H3;3-4,6,13-14H,5,7-12H2,1-2H3;4-5,14-15H,6-13H2,1-3H3;5-6,13-15H,3-4,7-12H2,1-2H3.
What are the key properties of 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine?
4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine has a molecular weight of 2515.66 g/mol, XLogP of 24.49, 51 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine is sourced from PubChem (CID 159900718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).