6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one

C27H25ClN6O2 — CID 139985105

IUPAC6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(NCCc2ccncc2)c1-c1nc2ccc(N3CCOCC3)cc2[nH]1
InChIInChI=1S/C27H25ClN6O2/c28-18-1-3-21-20(15-18)25(30-10-7-17-5-8-29-9-6-17)24(27(35)33-21)26-31-22-4-2-19(16-23(22)32-26)34-11-13-36-14-12-34/h1-6,8-9,15-16H,7,10-14H2,(H,31,32)(H2,30,33,35)
InChIKeyRYFUPGPJUUXQGH-UHFFFAOYSA-N
MW500.99 g/mol
LogP4.61
Rot. Bonds6

About 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one

6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one (PubChem CID 139985105) has the molecular formula C27H25ClN6O2 and a molecular weight of 500.99 g/mol. Its IUPAC name is 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one
PubChem CID139985105
Molecular FormulaC27H25ClN6O2
Molecular Weight500.99 g/mol
Exact Mass500.17
IUPAC Name6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(NCCc2ccncc2)c1-c1nc2ccc(N3CCOCC3)cc2[nH]1
InChIInChI=1S/C27H25ClN6O2/c28-18-1-3-21-20(15-18)25(30-10-7-17-5-8-29-9-6-17)24(27(35)33-21)26-31-22-4-2-19(16-23(22)32-26)34-11-13-36-14-12-34/h1-6,8-9,15-16H,7,10-14H2,(H,31,32)(H2,30,33,35)
InChIKeyRYFUPGPJUUXQGH-UHFFFAOYSA-N
XLogP4.61
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.99
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one 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 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one (CID 139985105) is 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(NCCc2ccncc2)c1-c1nc2ccc(N3CCOCC3)cc2[nH]1.
What is the InChIKey of 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one?
The InChIKey is RYFUPGPJUUXQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O2/c28-18-1-3-21-20(15-18)25(30-10-7-17-5-8-29-9-6-17)24(27(35)33-21)26-31-22-4-2-19(16-23(22)32-26)34-11-13-36-14-12-34/h1-6,8-9,15-16H,7,10-14H2,(H,31,32)(H2,30,33,35).
What are the key properties of 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one?
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one has a molecular weight of 500.99 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one is sourced from PubChem (CID 139985105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).