6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one

C16H16ClN3O — CID 166667251

IUPAC6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one
SMILESCC1(C)Cc2cc(Nc3ccc(Cl)cn3)ccc2NC1=O
InChIInChI=1S/C16H16ClN3O/c1-16(2)8-10-7-12(4-5-13(10)20-15(16)21)19-14-6-3-11(17)9-18-14/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYNGVJSZILVQPNK-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.00
Rot. Bonds2

About 6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one

6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one (PubChem CID 166667251) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one
PubChem CID166667251
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one
SMILESCC1(C)Cc2cc(Nc3ccc(Cl)cn3)ccc2NC1=O
InChIInChI=1S/C16H16ClN3O/c1-16(2)8-10-7-12(4-5-13(10)20-15(16)21)19-14-6-3-11(17)9-18-14/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYNGVJSZILVQPNK-UHFFFAOYSA-N
XLogP4.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one with MolForge

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Related Compounds

6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one
CID 166667314
3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one
CID 166091509
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 66218090
5-chloro-N-(3-iodophenyl)pyridin-2-amine
CID 66220543
5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
CID 65027600
3,3-dimethyl-6-[(2-oxo-3-phenylpyrrolidin-1-yl)amino]-1,4-dihydroquinolin-2-one
CID 170261812
5-chloro-N-(3-chloro-5-fluorophenyl)pyridin-2-amine
CID 107370354
5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine
CID 79988012
3-ethyl-N-(3-ethyl-3-methyl-2-oxo-1,4-dihydroquinolin-6-yl)pyridine-4-carboxamide
CID 166667304
8-chloro-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-4-one
CID 115098498
5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one
CID 115126207

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one (CID 166667251) is 6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one is CC1(C)Cc2cc(Nc3ccc(Cl)cn3)ccc2NC1=O.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one?
The InChIKey is YNGVJSZILVQPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-16(2)8-10-7-12(4-5-13(10)20-15(16)21)19-14-6-3-11(17)9-18-14/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one?
6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one has a molecular weight of 301.78 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 166667251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).