3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one

C22H22N4O — CID 1433063

IUPAC3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(-c3nc4ccccn4c3NC3CCCC3)c(=O)[nH]c12
InChIInChI=1S/C22H22N4O/c1-14-7-6-8-15-13-17(22(27)25-19(14)15)20-21(23-16-9-2-3-10-16)26-12-5-4-11-18(26)24-20/h4-8,11-13,16,23H,2-3,9-10H2,1H3,(H,25,27)
InChIKeyTWCNABWZMYVMHK-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.51
Rot. Bonds3

About 3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one

3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one (PubChem CID 1433063) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one
PubChem CID1433063
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(-c3nc4ccccn4c3NC3CCCC3)c(=O)[nH]c12
InChIInChI=1S/C22H22N4O/c1-14-7-6-8-15-13-17(22(27)25-19(14)15)20-21(23-16-9-2-3-10-16)26-12-5-4-11-18(26)24-20/h4-8,11-13,16,23H,2-3,9-10H2,1H3,(H,25,27)
InChIKeyTWCNABWZMYVMHK-UHFFFAOYSA-N
XLogP4.51
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one (CID 1433063) is 3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc(-c3nc4ccccn4c3NC3CCCC3)c(=O)[nH]c12.
What is the InChIKey of 3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one?
The InChIKey is TWCNABWZMYVMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-7-6-8-15-13-17(22(27)25-19(14)15)20-21(23-16-9-2-3-10-16)26-12-5-4-11-18(26)24-20/h4-8,11-13,16,23H,2-3,9-10H2,1H3,(H,25,27).
What are the key properties of 3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one?
3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one has a molecular weight of 358.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 1433063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).