N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide

C28H30N2O2 — CID 3091947

IUPACN-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide
SMILESCCCCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H30N2O2/c1-3-4-19-27(31)30(23-15-9-6-10-16-23)26-20-21(2)29(25-18-12-11-17-24(25)26)28(32)22-13-7-5-8-14-22/h5-18,21,26H,3-4,19-20H2,1-2H3
InChIKeyZNIFAUWONSYYQK-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.39
Rot. Bonds6

About N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide

N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide (PubChem CID 3091947) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide.

Molecular Properties

Compound NameN-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide
PubChem CID3091947
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC NameN-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide
SMILESCCCCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H30N2O2/c1-3-4-19-27(31)30(23-15-9-6-10-16-23)26-20-21(2)29(25-18-12-11-17-24(25)26)28(32)22-13-7-5-8-14-22/h5-18,21,26H,3-4,19-20H2,1-2H3
InChIKeyZNIFAUWONSYYQK-UHFFFAOYSA-N
XLogP6.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide?
The IUPAC name of N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide (CID 3091947) is N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide.
What is the SMILES notation for N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide?
The canonical SMILES for N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide is CCCCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide?
The InChIKey is ZNIFAUWONSYYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-3-4-19-27(31)30(23-15-9-6-10-16-23)26-20-21(2)29(25-18-12-11-17-24(25)26)28(32)22-13-7-5-8-14-22/h5-18,21,26H,3-4,19-20H2,1-2H3.
What are the key properties of N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide?
N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide has a molecular weight of 426.56 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpentanamide is sourced from PubChem (CID 3091947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).