N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C20H20N4O4 — CID 46494287

IUPACN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C20H20N4O4/c21-17(25)11-23-19(27)13-3-1-12(2-4-13)10-22-20(28)15-5-7-16-14(9-15)6-8-18(26)24-16/h1-5,7,9H,6,8,10-11H2,(H2,21,25)(H,22,28)(H,23,27)(H,24,26)
InChIKeyOVJRANCBLRMTAG-UHFFFAOYSA-N
MW380.40 g/mol
LogP0.72
Rot. Bonds6

About N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 46494287) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID46494287
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C20H20N4O4/c21-17(25)11-23-19(27)13-3-1-12(2-4-13)10-22-20(28)15-5-7-16-14(9-15)6-8-18(26)24-16/h1-5,7,9H,6,8,10-11H2,(H2,21,25)(H,22,28)(H,23,27)(H,24,26)
InChIKeyOVJRANCBLRMTAG-UHFFFAOYSA-N
XLogP0.72
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18107678
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
N-[(4-carbamoylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797946
N-[(3-fluoro-4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31714300
N-[(3-chlorophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911732
N-[(E)-4-aminobut-2-enyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102711711
N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24613235
3-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781541
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46415679
methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate
CID 18113019

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 46494287) is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is OVJRANCBLRMTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c21-17(25)11-23-19(27)13-3-1-12(2-4-13)10-22-20(28)15-5-7-16-14(9-15)6-8-18(26)24-16/h1-5,7,9H,6,8,10-11H2,(H2,21,25)(H,22,28)(H,23,27)(H,24,26).
What are the key properties of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 46494287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).