N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

C20H22N2O4S — CID 8819694

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc21
InChIInChI=1S/C20H22N2O4S/c1-27(24,25)22-11-4-5-14-13-15(8-9-18(14)22)20(23)21-17-10-12-26-19-7-3-2-6-16(17)19/h2-3,6-9,13,17H,4-5,10-12H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyKOCGUMRAHNQUOZ-QGZVFWFLSA-N
MW386.47 g/mol
LogP2.65
Rot. Bonds3

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 8819694) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID8819694
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc21
InChIInChI=1S/C20H22N2O4S/c1-27(24,25)22-11-4-5-14-13-15(8-9-18(14)22)20(23)21-17-10-12-26-19-7-3-2-6-16(17)19/h2-3,6-9,13,17H,4-5,10-12H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyKOCGUMRAHNQUOZ-QGZVFWFLSA-N
XLogP2.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide 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

1-methylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide
CID 8777525
4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119228969
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
CID 18193131
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86929892
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18115302
N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 17445598
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119601839
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119601838
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 8819694) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is CS(=O)(=O)N1CCCc2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc21.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is KOCGUMRAHNQUOZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-27(24,25)22-11-4-5-14-13-15(8-9-18(14)22)20(23)21-17-10-12-26-19-7-3-2-6-16(17)19/h2-3,6-9,13,17H,4-5,10-12H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 8819694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).