3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one

C16H17N3O2 — CID 104772854

IUPAC3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CC(N)Cc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C16H17N3O2/c1-10-6-7-13(15(20)18-10)16(21)19-9-12(17)8-11-4-2-3-5-14(11)19/h2-7,12H,8-9,17H2,1H3,(H,18,20)
InChIKeyROKPASRCOJNDSD-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.21
Rot. Bonds1

About 3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one

3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one (PubChem CID 104772854) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one
PubChem CID104772854
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CC(N)Cc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C16H17N3O2/c1-10-6-7-13(15(20)18-10)16(21)19-9-12(17)8-11-4-2-3-5-14(11)19/h2-7,12H,8-9,17H2,1H3,(H,18,20)
InChIKeyROKPASRCOJNDSD-UHFFFAOYSA-N
XLogP1.21
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862190
3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one
CID 102554721
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821989
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone
CID 106855124
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672090
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753653
6-methyl-3-(1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carbonyl)-1H-pyridin-2-one
CID 104772907
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone
CID 103514183
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 119381683
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 167937529
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one
CID 103021502
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone
CID 107520064

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one (CID 104772854) is 3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CC(N)Cc3ccccc32)c(=O)[nH]1.
What is the InChIKey of 3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is ROKPASRCOJNDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-6-7-13(15(20)18-10)16(21)19-9-12(17)8-11-4-2-3-5-14(11)19/h2-7,12H,8-9,17H2,1H3,(H,18,20).
What are the key properties of 3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one?
3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 283.33 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 104772854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).