benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine

C98H104Cl2F4N20O8 — CID 160777783

IUPACbenzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine
SMILESC1COCCN1.Clc1ncnc2nc[nH]c12.Fc1ccc2cc(C3CCCCN3)c(N3CCOCC3)nc2c1.Fc1ccc2cc(C3CCCCN3c3ncnc4nc[nH]c34)c(N3CCOCC3)nc2c1.O=C(OCc1ccccc1)N1CC=CCC1c1cc2ccc(F)cc2nc1Cl.O=C(OCc1ccccc1)N1CC=CCC1c1cc2ccc(F)cc2nc1N1CCOCC1.[H][H]
InChIInChI=1S/C26H26FN3O3.C23H24FN7O.C22H18ClFN2O2.C18H22FN3O.C5H3ClN4.C4H9NO.H2/c27-21-10-9-20-16-22(25(28-23(20)17-21)29-12-14-32-15-13-29)24-8-4-5-11-30(24)26(31)33-18-19-6-2-1-3-7-19;24-16-5-4-15-11-17(22(29-18(15)12-16)30-7-9-32-10-8-30)19-3-1-2-6-31(19)23-20-21(26-13-25-20)27-14-28-23;23-21-18(12-16-9-10-17(24)13-19(16)25-21)20-8-4-5-11-26(20)22(27)28-14-15-6-2-1-3-7-15;19-14-5-4-13-11-15(16-3-1-2-6-20-16)18(21-17(13)12-14)22-7-9-23-10-8-22;6-4-3-5(9-1-7-3)10-2-8-4;1-3-6-4-2-5-1;/h1-7,9-10,16-17,24H,8,11-15,18H2;4-5,11-14,19H,1-3,6-10H2,(H,25,26,27,28);1-7,9-10,12-13,20H,8,11,14H2;4-5,11-12,16,20H,1-3,6-10H2;1-2H,(H,7,8,9,10);5H,1-4H2;1H
InChIKeySAEFLRANIHVHMA-UHFFFAOYSA-N
MW1836.94 g/mol
LogP18.01
Rot. Bonds12

About benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine

benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine (PubChem CID 160777783) has the molecular formula C98H104Cl2F4N20O8 and a molecular weight of 1836.94 g/mol. Its IUPAC name is benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine.

Molecular Properties

Compound Namebenzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine
PubChem CID160777783
Molecular FormulaC98H104Cl2F4N20O8
Molecular Weight1836.94 g/mol
Exact Mass1834.77
IUPAC Namebenzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine
SMILESC1COCCN1.Clc1ncnc2nc[nH]c12.Fc1ccc2cc(C3CCCCN3)c(N3CCOCC3)nc2c1.Fc1ccc2cc(C3CCCCN3c3ncnc4nc[nH]c34)c(N3CCOCC3)nc2c1.O=C(OCc1ccccc1)N1CC=CCC1c1cc2ccc(F)cc2nc1Cl.O=C(OCc1ccccc1)N1CC=CCC1c1cc2ccc(F)cc2nc1N1CCOCC1.[H][H]
InChIInChI=1S/C26H26FN3O3.C23H24FN7O.C22H18ClFN2O2.C18H22FN3O.C5H3ClN4.C4H9NO.H2/c27-21-10-9-20-16-22(25(28-23(20)17-21)29-12-14-32-15-13-29)24-8-4-5-11-30(24)26(31)33-18-19-6-2-1-3-7-19;24-16-5-4-15-11-17(22(29-18(15)12-16)30-7-9-32-10-8-30)19-3-1-2-6-31(19)23-20-21(26-13-25-20)27-14-28-23;23-21-18(12-16-9-10-17(24)13-19(16)25-21)20-8-4-5-11-26(20)22(27)28-14-15-6-2-1-3-7-15;19-14-5-4-13-11-15(16-3-1-2-6-20-16)18(21-17(13)12-14)22-7-9-23-10-8-22;6-4-3-5(9-1-7-3)10-2-8-4;1-3-6-4-2-5-1;/h1-7,9-10,16-17,24H,8,11-15,18H2;4-5,11-14,19H,1-3,6-10H2,(H,25,26,27,28);1-7,9-10,12-13,20H,8,11,14H2;4-5,11-12,16,20H,1-3,6-10H2;1-2H,(H,7,8,9,10);5H,1-4H2;1H
InChIKeySAEFLRANIHVHMA-UHFFFAOYSA-N
XLogP18.01
TPSA293.50 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001836.94
LogP ≤ 518.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine?
The IUPAC name of benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine (CID 160777783) is benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine.
What is the SMILES notation for benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine?
The canonical SMILES for benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine is C1COCCN1.Clc1ncnc2nc[nH]c12.Fc1ccc2cc(C3CCCCN3)c(N3CCOCC3)nc2c1.Fc1ccc2cc(C3CCCCN3c3ncnc4nc[nH]c34)c(N3CCOCC3)nc2c1.O=C(OCc1ccccc1)N1CC=CCC1c1cc2ccc(F)cc2nc1Cl.O=C(OCc1ccccc1)N1CC=CCC1c1cc2ccc(F)cc2nc1N1CCOCC1.[H][H].
What is the InChIKey of benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine?
The InChIKey is SAEFLRANIHVHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3.C23H24FN7O.C22H18ClFN2O2.C18H22FN3O.C5H3ClN4.C4H9NO.H2/c27-21-10-9-20-16-22(25(28-23(20)17-21)29-12-14-32-15-13-29)24-8-4-5-11-30(24)26(31)33-18-19-6-2-1-3-7-19;24-16-5-4-15-11-17(22(29-18(15)12-16)30-7-9-32-10-8-30)19-3-1-2-6-31(19)23-20-21(26-13-25-20)27-14-28-23;23-21-18(12-16-9-10-17(24)13-19(16)25-21)20-8-4-5-11-26(20)22(27)28-14-15-6-2-1-3-7-15;19-14-5-4-13-11-15(16-3-1-2-6-20-16)18(21-17(13)12-14)22-7-9-23-10-8-22;6-4-3-5(9-1-7-3)10-2-8-4;1-3-6-4-2-5-1;/h1-7,9-10,16-17,24H,8,11-15,18H2;4-5,11-14,19H,1-3,6-10H2,(H,25,26,27,28);1-7,9-10,12-13,20H,8,11,14H2;4-5,11-12,16,20H,1-3,6-10H2;1-2H,(H,7,8,9,10);5H,1-4H2;1H.
What are the key properties of benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine?
benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine has a molecular weight of 1836.94 g/mol, XLogP of 18.01, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-chloro-7-fluoroquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 2-(7-fluoro-2-morpholin-4-ylquinolin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7H-purine;4-(7-fluoro-3-piperidin-2-ylquinolin-2-yl)morpholine;4-[7-fluoro-3-[1-(7H-purin-6-yl)piperidin-2-yl]quinolin-2-yl]morpholine;molecular hydrogen;morpholine is sourced from PubChem (CID 160777783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).