N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C24H27N3O4 — CID 56563158

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC(NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H27N3O4/c1-13(14-6-8-16(9-7-14)26-21(29)15-4-5-15)25-22(30)18-10-17-19(27-23(18)31)11-24(2,3)12-20(17)28/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyRAPUQNIESNBHLG-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.37
Rot. Bonds5

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56563158) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56563158
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC(NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H27N3O4/c1-13(14-6-8-16(9-7-14)26-21(29)15-4-5-15)25-22(30)18-10-17-19(27-23(18)31)11-24(2,3)12-20(17)28/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyRAPUQNIESNBHLG-UHFFFAOYSA-N
XLogP3.37
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[1-(4-chlorophenyl)-4-methylpentyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567655
N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 17020149
3-[4-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]phenyl]propanoic acid
CID 119252215
N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560369
(2S,3S)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-3-methylpentanoic acid
CID 119193879
propan-2-yl 3-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-3-(4-methylphenyl)propanoate
CID 56567629
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 38612575
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56563167
N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 22426418
4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 134021153
7,7-dimethyl-2,5-dioxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560084

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56563158) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CC(NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is RAPUQNIESNBHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-13(14-6-8-16(9-7-14)26-21(29)15-4-5-15)25-22(30)18-10-17-19(27-23(18)31)11-24(2,3)12-20(17)28/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,25,30)(H,26,29)(H,27,31).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56563158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).