3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide

C21H25N3O2 — CID 119729796

IUPAC3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H25N3O2/c1-13(20(22)15-6-4-3-5-7-15)21(26)23-14(2)16-8-10-18-17(12-16)9-11-19(25)24-18/h3-8,10,12-14,20H,9,11,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyMMDHLHJBDDXLQC-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.08
Rot. Bonds5

About 3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide

3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide (PubChem CID 119729796) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide
PubChem CID119729796
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H25N3O2/c1-13(20(22)15-6-4-3-5-7-15)21(26)23-14(2)16-8-10-18-17(12-16)9-11-19(25)24-18/h3-8,10,12-14,20H,9,11,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyMMDHLHJBDDXLQC-UHFFFAOYSA-N
XLogP3.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 166365058
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopentane-1-carboxamide
CID 119729790
2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 51089323
2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
CID 94647057
2-(3,5-difluorophenyl)-2-methoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 154845292
3-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119729792
7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
CID 119729777
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119720013

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide (CID 119729796) is 3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide is CC(NC(=O)C(C)C(N)c1ccccc1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide?
The InChIKey is MMDHLHJBDDXLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-13(20(22)15-6-4-3-5-7-15)21(26)23-14(2)16-8-10-18-17(12-16)9-11-19(25)24-18/h3-8,10,12-14,20H,9,11,22H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119729796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).