1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol

C48H47ClF2N8O6 — CID 160750596

IUPAC1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
SMILESCNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cc(F)ccc3O)cc12.CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cc(F)ccc3OCCOC)cc12.COCCCl
InChIInChI=1S/C24H23FN4O3.C21H17FN4O2.C3H7ClO/c1-26-24-19-11-16(18-13-17(25)6-7-20(18)32-10-9-30-2)12-21(31-3)22(19)28-23(29-24)15-5-4-8-27-14-15;1-23-21-16-8-13(15-10-14(22)5-6-17(15)27)9-18(28-2)19(16)25-20(26-21)12-4-3-7-24-11-12;1-5-3-2-4/h4-8,11-14H,9-10H2,1-3H3,(H,26,28,29);3-11,27H,1-2H3,(H,23,25,26);2-3H2,1H3
InChIKeyRWTOFMCQNSYTRJ-UHFFFAOYSA-N
MW905.40 g/mol
LogP9.70
Rot. Bonds14

About 1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol

1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol (PubChem CID 160750596) has the molecular formula C48H47ClF2N8O6 and a molecular weight of 905.40 g/mol. Its IUPAC name is 1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol.

Molecular Properties

Compound Name1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
PubChem CID160750596
Molecular FormulaC48H47ClF2N8O6
Molecular Weight905.40 g/mol
Exact Mass904.33
IUPAC Name1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
SMILESCNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cc(F)ccc3O)cc12.CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cc(F)ccc3OCCOC)cc12.COCCCl
InChIInChI=1S/C24H23FN4O3.C21H17FN4O2.C3H7ClO/c1-26-24-19-11-16(18-13-17(25)6-7-20(18)32-10-9-30-2)12-21(31-3)22(19)28-23(29-24)15-5-4-8-27-14-15;1-23-21-16-8-13(15-10-14(22)5-6-17(15)27)9-18(28-2)19(16)25-20(26-21)12-4-3-7-24-11-12;1-5-3-2-4/h4-8,11-14H,9-10H2,1-3H3,(H,26,28,29);3-11,27H,1-2H3,(H,23,25,26);2-3H2,1H3
InChIKeyRWTOFMCQNSYTRJ-UHFFFAOYSA-N
XLogP9.70
TPSA167.78 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.40
LogP ≤ 59.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol?
The IUPAC name of 1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol (CID 160750596) is 1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol.
What is the SMILES notation for 1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol?
The canonical SMILES for 1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol is CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cc(F)ccc3O)cc12.CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cc(F)ccc3OCCOC)cc12.COCCCl.
What is the InChIKey of 1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol?
The InChIKey is RWTOFMCQNSYTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3.C21H17FN4O2.C3H7ClO/c1-26-24-19-11-16(18-13-17(25)6-7-20(18)32-10-9-30-2)12-21(31-3)22(19)28-23(29-24)15-5-4-8-27-14-15;1-23-21-16-8-13(15-10-14(22)5-6-17(15)27)9-18(28-2)19(16)25-20(26-21)12-4-3-7-24-11-12;1-5-3-2-4/h4-8,11-14H,9-10H2,1-3H3,(H,26,28,29);3-11,27H,1-2H3,(H,23,25,26);2-3H2,1H3.
What are the key properties of 1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol?
1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol has a molecular weight of 905.40 g/mol, XLogP of 9.70, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methoxyethane;6-[5-fluoro-2-(2-methoxyethoxy)phenyl]-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;4-fluoro-2-[8-methoxy-4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol is sourced from PubChem (CID 160750596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).