6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one

C19H17ClN6O — CID 146222010

IUPAC6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
SMILESCC(Nc1nccc(-c2cncn2C)n1)c1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C19H17ClN6O/c1-11(14-8-12-7-13(20)3-4-15(12)24-18(14)27)23-19-22-6-5-16(25-19)17-9-21-10-26(17)2/h3-11H,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyWPESHFWYUVZQEM-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.55
Rot. Bonds4

About 6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one

6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one (PubChem CID 146222010) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
PubChem CID146222010
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
SMILESCC(Nc1nccc(-c2cncn2C)n1)c1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C19H17ClN6O/c1-11(14-8-12-7-13(20)3-4-15(12)24-18(14)27)23-19-22-6-5-16(25-19)17-9-21-10-26(17)2/h3-11H,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyWPESHFWYUVZQEM-UHFFFAOYSA-N
XLogP3.55
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one (CID 146222010) is 6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one is CC(Nc1nccc(-c2cncn2C)n1)c1cc2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one?
The InChIKey is WPESHFWYUVZQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-11(14-8-12-7-13(20)3-4-15(12)24-18(14)27)23-19-22-6-5-16(25-19)17-9-21-10-26(17)2/h3-11H,1-2H3,(H,24,27)(H,22,23,25).
What are the key properties of 6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one?
6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one has a molecular weight of 380.84 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 146222010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).