1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one

C21H21N3O2 — CID 9488517

IUPAC1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one
SMILESC[C@H]1CCc2ccccc2N1C(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-15-10-11-16-6-2-4-8-18(16)24(15)21(26)12-13-23-19-9-5-3-7-17(19)20(25)14-22-23/h2-9,14-15H,10-13H2,1H3/t15-/m0/s1
InChIKeyYVCMETGXLGXWGP-HNNXBMFYSA-N
MW347.42 g/mol
LogP3.15
Rot. Bonds3

About 1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one

1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one (PubChem CID 9488517) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one
PubChem CID9488517
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one
SMILESC[C@H]1CCc2ccccc2N1C(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-15-10-11-16-6-2-4-8-18(16)24(15)21(26)12-13-23-19-9-5-3-7-17(19)20(25)14-22-23/h2-9,14-15H,10-13H2,1H3/t15-/m0/s1
InChIKeyYVCMETGXLGXWGP-HNNXBMFYSA-N
XLogP3.15
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(6-(diethylamino)hexyl)acridin-9(10H)-one
CID 44566054
1-Benzyl-3-isopropyl-1,2,3,4-tetrahydro-2lambda~6~,1,3-benzothiadiazine-2,2,4-trione
CID 2825491
10-(5-(diethylamino)pentyl)acridin-9(10H)-one
CID 14014889
N-((2S,4R)-1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 1101166
N-((2R,4S)-1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 1101169
N-[2-methyl-1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
CID 2835215
N-[2-methyl-1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpentanamide
CID 3091947
1-[1-(4-Dimethylamino-benzoyl)-piperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9951649
(+/-)-N-(1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-benzylacetamide
CID 10430988
1-[1-(4-Methyl-benzoyl)-piperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 14969517
4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-2-methylphthalazin-1(2H)-one
CID 1511241
N-[2-methyl-1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbenzamide
CID 3753058

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one?
The IUPAC name of 1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one (CID 9488517) is 1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one.
What is the SMILES notation for 1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one?
The canonical SMILES for 1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one is C[C@H]1CCc2ccccc2N1C(=O)CCn1ncc(=O)c2ccccc21.
What is the InChIKey of 1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one?
The InChIKey is YVCMETGXLGXWGP-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-10-11-16-6-2-4-8-18(16)24(15)21(26)12-13-23-19-9-5-3-7-17(19)20(25)14-22-23/h2-9,14-15H,10-13H2,1H3/t15-/m0/s1.
What are the key properties of 1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one?
1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one has a molecular weight of 347.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one is sourced from PubChem (CID 9488517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).