1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide

C23H26N2O2 — CID 39215283

IUPAC1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc(C2(C(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C23H26N2O2/c1-22(2,3)16-5-7-17(8-6-16)23(12-13-23)21(27)24-18-9-10-19-15(14-18)4-11-20(26)25-19/h5-10,14H,4,11-13H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyKIFQTUMFCBQLOG-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.54
Rot. Bonds3

About 1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide

1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide (PubChem CID 39215283) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide
PubChem CID39215283
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc(C2(C(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C23H26N2O2/c1-22(2,3)16-5-7-17(8-6-16)23(12-13-23)21(27)24-18-9-10-19-15(14-18)4-11-20(26)25-19/h5-10,14H,4,11-13H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyKIFQTUMFCBQLOG-UHFFFAOYSA-N
XLogP4.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

3-amino-2,2,3-trimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 65264946
1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide
CID 86941652
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 61154271
1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119708965
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528
3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 12810798
3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 60837196
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110768501
3-(ethylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 62832872
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
4-(methoxymethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 120631048

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide (CID 39215283) is 1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide is CC(C)(C)c1ccc(C2(C(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide?
The InChIKey is KIFQTUMFCBQLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-22(2,3)16-5-7-17(8-6-16)23(12-13-23)21(27)24-18-9-10-19-15(14-18)4-11-20(26)25-19/h5-10,14H,4,11-13H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide?
1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 39215283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).