3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide

C21H25N3O2 — CID 97007820

IUPAC3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
SMILESCc1ccccc1NCCC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H25N3O2/c1-14-5-3-4-6-18(14)22-12-11-21(26)23-15(2)16-7-9-19-17(13-16)8-10-20(25)24-19/h3-7,9,13,15,22H,8,10-12H2,1-2H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChIKeyIKGJBSKCGLLFEF-HNNXBMFYSA-N
MW351.45 g/mol
LogP3.56
Rot. Bonds6

About 3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide

3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide (PubChem CID 97007820) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
PubChem CID97007820
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
SMILESCc1ccccc1NCCC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H25N3O2/c1-14-5-3-4-6-18(14)22-12-11-21(26)23-15(2)16-7-9-19-17(13-16)8-10-20(25)24-19/h3-7,9,13,15,22H,8,10-12H2,1-2H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChIKeyIKGJBSKCGLLFEF-HNNXBMFYSA-N
XLogP3.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide with MolForge

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Related Compounds

4-(methylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 119729786
7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
CID 119729777
3-(2-fluorophenoxy)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 94078790
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824
1-(2-fluoro-6-methylphenyl)-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 124575118
2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 97002140
[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101136
3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide
CID 119729796
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 102556137

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide?
The IUPAC name of 3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide (CID 97007820) is 3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide is Cc1ccccc1NCCC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide?
The InChIKey is IKGJBSKCGLLFEF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-5-3-4-6-18(14)22-12-11-21(26)23-15(2)16-7-9-19-17(13-16)8-10-20(25)24-19/h3-7,9,13,15,22H,8,10-12H2,1-2H3,(H,23,26)(H,24,25)/t15-/m0/s1.
What are the key properties of 3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide?
3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide is sourced from PubChem (CID 97007820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).