N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

C23H26N4O2 — CID 97010185

IUPACN-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESCC(C)(C)n1c(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)nc2ccccc21
InChIInChI=1S/C23H26N4O2/c1-23(2,3)27-19-11-7-6-10-18(19)25-22(27)26-20(28)13-12-16-14-15-8-4-5-9-17(15)24-21(16)29/h4-11,16H,12-14H2,1-3H3,(H,24,29)(H,25,26,28)/t16-/m0/s1
InChIKeyVNLYACUHLMUBHE-INIZCTEOSA-N
MW390.49 g/mol
LogP4.32
Rot. Bonds4

About N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (PubChem CID 97010185) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

Molecular Properties

Compound NameN-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
PubChem CID97010185
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESCC(C)(C)n1c(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)nc2ccccc21
InChIInChI=1S/C23H26N4O2/c1-23(2,3)27-19-11-7-6-10-18(19)25-22(27)26-20(28)13-12-16-14-15-8-4-5-9-17(15)24-21(16)29/h4-11,16H,12-14H2,1-3H3,(H,24,29)(H,25,26,28)/t16-/m0/s1
InChIKeyVNLYACUHLMUBHE-INIZCTEOSA-N
XLogP4.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 24627029
3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide
CID 51093634
N-(3-fluoro-4-methylphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26026495
N-(3-fluoro-4-methylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42933936
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
N-(2-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615477
2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
CID 119199666
2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 119218504
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262465
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
CID 31306923
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30211328
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262421

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The IUPAC name of N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (CID 97010185) is N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.
What is the SMILES notation for N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The canonical SMILES for N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is CC(C)(C)n1c(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)nc2ccccc21.
What is the InChIKey of N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The InChIKey is VNLYACUHLMUBHE-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-23(2,3)27-19-11-7-6-10-18(19)25-22(27)26-20(28)13-12-16-14-15-8-4-5-9-17(15)24-21(16)29/h4-11,16H,12-14H2,1-3H3,(H,24,29)(H,25,26,28)/t16-/m0/s1.
What are the key properties of N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide has a molecular weight of 390.49 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is sourced from PubChem (CID 97010185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).