N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide

C22H24N2O2 — CID 3469942

IUPACN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-3-19(16-7-5-4-6-8-16)22(26)23-12-11-18-14-17-10-9-15(2)13-20(17)24-21(18)25/h4-10,13-14,19H,3,11-12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVLJUSADXHXDMMV-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide

N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide (PubChem CID 3469942) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
PubChem CID3469942
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-3-19(16-7-5-4-6-8-16)22(26)23-12-11-18-14-17-10-9-15(2)13-20(17)24-21(18)25/h4-10,13-14,19H,3,11-12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVLJUSADXHXDMMV-UHFFFAOYSA-N
XLogP3.69
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 7080098
(E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
CID 110616795
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-2-carboxamide
CID 110662758
N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110620872
2-cyclopropyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylacetamide
CID 110415384
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
CID 4605558
1-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea
CID 7136867
2,4-dichloro-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 4147135
1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide
CID 110325870
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide
CID 5084533
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide?
The IUPAC name of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide (CID 3469942) is N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide is CCC(C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide?
The InChIKey is VLJUSADXHXDMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-19(16-7-5-4-6-8-16)22(26)23-12-11-18-14-17-10-9-15(2)13-20(17)24-21(18)25/h4-10,13-14,19H,3,11-12H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide?
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide has a molecular weight of 348.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide is sourced from PubChem (CID 3469942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).