4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine

C51H45ClF4N8O2 — CID 87428791

IUPAC4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine
SMILESCc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C32H32F2N6O2.C19H13ClF2N2/c1-20-30(22-3-4-28-21(15-22)5-6-38(28)2)36-26-17-23(33)16-25(34)29(26)31(20)37-27-18-24(39-7-11-41-12-8-39)19-35-32(27)40-9-13-42-14-10-40;1-10-18(20)17-14(22)8-13(21)9-15(17)23-19(10)12-3-4-16-11(7-12)5-6-24(16)2/h3-6,15-19H,7-14H2,1-2H3,(H,36,37);3-9H,1-2H3
InChIKeyJVKSIFFUQMBZMI-UHFFFAOYSA-N
MW913.42 g/mol
LogP11.43
Rot. Bonds6

About 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine

4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine (PubChem CID 87428791) has the molecular formula C51H45ClF4N8O2 and a molecular weight of 913.42 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine.

Molecular Properties

Compound Name4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine
PubChem CID87428791
Molecular FormulaC51H45ClF4N8O2
Molecular Weight913.42 g/mol
Exact Mass912.33
IUPAC Name4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine
SMILESCc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C32H32F2N6O2.C19H13ClF2N2/c1-20-30(22-3-4-28-21(15-22)5-6-38(28)2)36-26-17-23(33)16-25(34)29(26)31(20)37-27-18-24(39-7-11-41-12-8-39)19-35-32(27)40-9-13-42-14-10-40;1-10-18(20)17-14(22)8-13(21)9-15(17)23-19(10)12-3-4-16-11(7-12)5-6-24(16)2/h3-6,15-19H,7-14H2,1-2H3,(H,36,37);3-9H,1-2H3
InChIKeyJVKSIFFUQMBZMI-UHFFFAOYSA-N
XLogP11.43
TPSA85.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.42
LogP ≤ 511.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-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-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine?
The IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine (CID 87428791) is 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine.
What is the SMILES notation for 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine?
The canonical SMILES for 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine is Cc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine?
The InChIKey is JVKSIFFUQMBZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N6O2.C19H13ClF2N2/c1-20-30(22-3-4-28-21(15-22)5-6-38(28)2)36-26-17-23(33)16-25(34)29(26)31(20)37-27-18-24(39-7-11-41-12-8-39)19-35-32(27)40-9-13-42-14-10-40;1-10-18(20)17-14(22)8-13(21)9-15(17)23-19(10)12-3-4-16-11(7-12)5-6-24(16)2/h3-6,15-19H,7-14H2,1-2H3,(H,36,37);3-9H,1-2H3.
What are the key properties of 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine?
4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine has a molecular weight of 913.42 g/mol, XLogP of 11.43, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-amine is sourced from PubChem (CID 87428791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).