N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide

C24H23N3O3S — CID 55965676

IUPACN-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2sccc2C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C24H23N3O3S/c1-14(2)15-3-5-16(6-4-15)22(29)27-24-19(11-12-31-24)23(30)25-18-8-9-20-17(13-18)7-10-21(28)26-20/h3-6,8-9,11-14H,7,10H2,1-2H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyLNMQCXHJZOXJMH-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.26
Rot. Bonds5

About N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide

N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 55965676) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID55965676
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2sccc2C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C24H23N3O3S/c1-14(2)15-3-5-16(6-4-15)22(29)27-24-19(11-12-31-24)23(30)25-18-8-9-20-17(13-18)7-10-21(28)26-20/h3-6,8-9,11-14H,7,10H2,1-2H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyLNMQCXHJZOXJMH-UHFFFAOYSA-N
XLogP5.26
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide with MolForge

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Related Compounds

2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784440
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
4-ethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27652443
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 55967083
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27555740
N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55760402
N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712636
N-[4-(dimethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 34547299

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide (CID 55965676) is N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide is CC(C)c1ccc(C(=O)Nc2sccc2C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is LNMQCXHJZOXJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-14(2)15-3-5-16(6-4-15)22(29)27-24-19(11-12-31-24)23(30)25-18-8-9-20-17(13-18)7-10-21(28)26-20/h3-6,8-9,11-14H,7,10H2,1-2H3,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 5.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 55965676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).