4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine

C51H49ClF4N8O4 — CID 87425941

IUPAC4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine
SMILESCc1c(-c2ccc(OCC3CC3)nc2)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2ccc(OCC3CC3)nc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C32H34F2N6O3.C19H15ClF2N2O/c1-20-30(22-4-5-28(35-17-22)43-19-21-2-3-21)37-26-15-23(33)14-25(34)29(26)31(20)38-27-16-24(39-6-10-41-11-7-39)18-36-32(27)40-8-12-42-13-9-40;1-10-18(20)17-14(22)6-13(21)7-15(17)24-19(10)12-4-5-16(23-8-12)25-9-11-2-3-11/h4-5,14-18,21H,2-3,6-13,19H2,1H3,(H,37,38);4-8,11H,2-3,9H2,1H3
InChIKeyYPBBCQGVRYVJBH-UHFFFAOYSA-N
MW949.45 g/mol
LogP10.81
Rot. Bonds12

About 4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine

4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine (PubChem CID 87425941) has the molecular formula C51H49ClF4N8O4 and a molecular weight of 949.45 g/mol. Its IUPAC name is 4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine.

Molecular Properties

Compound Name4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine
PubChem CID87425941
Molecular FormulaC51H49ClF4N8O4
Molecular Weight949.45 g/mol
Exact Mass948.35
IUPAC Name4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine
SMILESCc1c(-c2ccc(OCC3CC3)nc2)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2ccc(OCC3CC3)nc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C32H34F2N6O3.C19H15ClF2N2O/c1-20-30(22-4-5-28(35-17-22)43-19-21-2-3-21)37-26-15-23(33)14-25(34)29(26)31(20)38-27-16-24(39-6-10-41-11-7-39)18-36-32(27)40-8-12-42-13-9-40;1-10-18(20)17-14(22)6-13(21)7-15(17)24-19(10)12-4-5-16(23-8-12)25-9-11-2-3-11/h4-5,14-18,21H,2-3,6-13,19H2,1H3,(H,37,38);4-8,11H,2-3,9H2,1H3
InChIKeyYPBBCQGVRYVJBH-UHFFFAOYSA-N
XLogP10.81
TPSA119.88 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.45
LogP ≤ 510.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine?
The IUPAC name of 4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine (CID 87425941) is 4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine.
What is the SMILES notation for 4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine?
The canonical SMILES for 4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine is Cc1c(-c2ccc(OCC3CC3)nc2)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2ccc(OCC3CC3)nc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of 4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine?
The InChIKey is YPBBCQGVRYVJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N6O3.C19H15ClF2N2O/c1-20-30(22-4-5-28(35-17-22)43-19-21-2-3-21)37-26-15-23(33)14-25(34)29(26)31(20)38-27-16-24(39-6-10-41-11-7-39)18-36-32(27)40-8-12-42-13-9-40;1-10-18(20)17-14(22)6-13(21)7-15(17)24-19(10)12-4-5-16(23-8-12)25-9-11-2-3-11/h4-5,14-18,21H,2-3,6-13,19H2,1H3,(H,37,38);4-8,11H,2-3,9H2,1H3.
What are the key properties of 4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine?
4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine has a molecular weight of 949.45 g/mol, XLogP of 10.81, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine is sourced from PubChem (CID 87425941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).