(4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one

C16H17N3O — CID 145460831

IUPAC(4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one
SMILESC[C@H]1CC(N)=NC(C)(c2ccc3ncccc3c2)C1=O
InChIInChI=1S/C16H17N3O/c1-10-8-14(17)19-16(2,15(10)20)12-5-6-13-11(9-12)4-3-7-18-13/h3-7,9-10H,8H2,1-2H3,(H2,17,19)/t10-,16?/m0/s1
InChIKeyMZYDZPNSVGQESN-VQVVDHBBSA-N
MW267.33 g/mol
LogP2.42
Rot. Bonds1

About (4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one

(4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one (PubChem CID 145460831) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one.

Molecular Properties

Compound Name(4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one
PubChem CID145460831
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one
SMILESC[C@H]1CC(N)=NC(C)(c2ccc3ncccc3c2)C1=O
InChIInChI=1S/C16H17N3O/c1-10-8-14(17)19-16(2,15(10)20)12-5-6-13-11(9-12)4-3-7-18-13/h3-7,9-10H,8H2,1-2H3,(H2,17,19)/t10-,16?/m0/s1
InChIKeyMZYDZPNSVGQESN-VQVVDHBBSA-N
XLogP2.42
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one with MolForge

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Launch Full Analysis

Related Compounds

7-quinolin-6-ylbicyclo[4.1.0]heptan-7-amine
CID 79331916
6-(3-bromo-1-methylcyclopentyl)quinoline
CID 116540828
4-ethyl-1-quinolin-6-ylcyclohexan-1-amine
CID 81216009
2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde
CID 86621504
2-ethyl-1-quinolin-6-ylcyclopropan-1-ol
CID 79333859
6-(2-cyclopropylazepan-2-yl)quinoline
CID 81229509
4-(methylamino)-1-quinolin-6-ylcyclohexan-1-ol
CID 81221437
8-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
CID 23238165
2,2-dimethyl-4-quinolin-6-yloxan-4-ol
CID 81215986
tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate
CID 103775238
6-methylquinoline
CID 7059
3-methyl-1-(quinolin-6-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881992

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one?
The IUPAC name of (4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one (CID 145460831) is (4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one.
What is the SMILES notation for (4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one?
The canonical SMILES for (4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one is C[C@H]1CC(N)=NC(C)(c2ccc3ncccc3c2)C1=O.
What is the InChIKey of (4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one?
The InChIKey is MZYDZPNSVGQESN-VQVVDHBBSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-8-14(17)19-16(2,15(10)20)12-5-6-13-11(9-12)4-3-7-18-13/h3-7,9-10H,8H2,1-2H3,(H2,17,19)/t10-,16?/m0/s1.
What are the key properties of (4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one?
(4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one has a molecular weight of 267.33 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one is sourced from PubChem (CID 145460831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).