3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one

C22H21ClN4O2 — CID 1433274

IUPAC3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(-c3nc4ccc(Cl)cn4c3NC3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H21ClN4O2/c1-29-16-8-6-13-10-17(22(28)25-18(13)11-16)20-21(24-15-4-2-3-5-15)27-12-14(23)7-9-19(27)26-20/h6-12,15,24H,2-5H2,1H3,(H,25,28)
InChIKeyFDKKGCPFQPCYAN-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.86
Rot. Bonds4

About 3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one

3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one (PubChem CID 1433274) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one
PubChem CID1433274
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(-c3nc4ccc(Cl)cn4c3NC3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H21ClN4O2/c1-29-16-8-6-13-10-17(22(28)25-18(13)11-16)20-21(24-15-4-2-3-5-15)27-12-14(23)7-9-19(27)26-20/h6-12,15,24H,2-5H2,1H3,(H,25,28)
InChIKeyFDKKGCPFQPCYAN-UHFFFAOYSA-N
XLogP4.86
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-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 3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one (CID 1433274) is 3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(-c3nc4ccc(Cl)cn4c3NC3CCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is FDKKGCPFQPCYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-29-16-8-6-13-10-17(22(28)25-18(13)11-16)20-21(24-15-4-2-3-5-15)27-12-14(23)7-9-19(27)26-20/h6-12,15,24H,2-5H2,1H3,(H,25,28).
What are the key properties of 3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one?
3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 408.89 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 1433274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).