6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one

C26H24ClN9O — CID 142478283

IUPAC6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one
SMILESCC(Nc1cc(=O)n(C)c2ccc(Nc3nc(NCc4cccnc4)ncc3Cl)cc12)c1ncccn1
InChIInChI=1S/C26H24ClN9O/c1-16(24-29-9-4-10-30-24)33-21-12-23(37)36(2)22-7-6-18(11-19(21)22)34-25-20(27)15-32-26(35-25)31-14-17-5-3-8-28-13-17/h3-13,15-16,33H,14H2,1-2H3,(H2,31,32,34,35)
InChIKeyQYJADWXBANXZQK-UHFFFAOYSA-N
MW513.99 g/mol
LogP4.70
Rot. Bonds8

About 6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one

6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one (PubChem CID 142478283) has the molecular formula C26H24ClN9O and a molecular weight of 513.99 g/mol. Its IUPAC name is 6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one.

Molecular Properties

Compound Name6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one
PubChem CID142478283
Molecular FormulaC26H24ClN9O
Molecular Weight513.99 g/mol
Exact Mass513.18
IUPAC Name6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one
SMILESCC(Nc1cc(=O)n(C)c2ccc(Nc3nc(NCc4cccnc4)ncc3Cl)cc12)c1ncccn1
InChIInChI=1S/C26H24ClN9O/c1-16(24-29-9-4-10-30-24)33-21-12-23(37)36(2)22-7-6-18(11-19(21)22)34-25-20(27)15-32-26(35-25)31-14-17-5-3-8-28-13-17/h3-13,15-16,33H,14H2,1-2H3,(H2,31,32,34,35)
InChIKeyQYJADWXBANXZQK-UHFFFAOYSA-N
XLogP4.70
TPSA122.54 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.99
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)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-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one?
The IUPAC name of 6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one (CID 142478283) is 6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one.
What is the SMILES notation for 6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one?
The canonical SMILES for 6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one is CC(Nc1cc(=O)n(C)c2ccc(Nc3nc(NCc4cccnc4)ncc3Cl)cc12)c1ncccn1.
What is the InChIKey of 6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one?
The InChIKey is QYJADWXBANXZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN9O/c1-16(24-29-9-4-10-30-24)33-21-12-23(37)36(2)22-7-6-18(11-19(21)22)34-25-20(27)15-32-26(35-25)31-14-17-5-3-8-28-13-17/h3-13,15-16,33H,14H2,1-2H3,(H2,31,32,34,35).
What are the key properties of 6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one?
6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one has a molecular weight of 513.99 g/mol, XLogP of 4.70, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one is sourced from PubChem (CID 142478283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).