N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide

C28H30N2O2 — CID 121084335

IUPACN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C28H30N2O2/c1-20(2)16-17-30-26-14-13-25(19-24(26)12-15-28(30)32)29-27(31)18-21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-11,13-14,19-20H,12,15-18H2,1-2H3,(H,29,31)
InChIKeyKWBHTSJWSWFDDQ-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.86
Rot. Bonds7

About N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide

N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide (PubChem CID 121084335) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide
PubChem CID121084335
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC NameN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C28H30N2O2/c1-20(2)16-17-30-26-14-13-25(19-24(26)12-15-28(30)32)29-27(31)18-21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-11,13-14,19-20H,12,15-18H2,1-2H3,(H,29,31)
InChIKeyKWBHTSJWSWFDDQ-UHFFFAOYSA-N
XLogP5.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-phenylphenyl)acetamide
CID 40946959
phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
CID 16927201
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
CID 16927232
1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea
CID 30376939
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 16926873
1-(3,4-dichlorophenyl)-3-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 30376866
2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
CID 16927276
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenylethanesulfonamide
CID 16927652
3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927187
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
CID 16927194
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide
CID 16926877
3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927256

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide (CID 121084335) is N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide is CC(C)CCN1C(=O)CCc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide?
The InChIKey is KWBHTSJWSWFDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-20(2)16-17-30-26-14-13-25(19-24(26)12-15-28(30)32)29-27(31)18-21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-11,13-14,19-20H,12,15-18H2,1-2H3,(H,29,31).
What are the key properties of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide?
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide has a molecular weight of 426.56 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 121084335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).