N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide

C23H26N2O4 — CID 4605558

IUPACN-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O)c1ccccc1
InChIInChI=1S/C23H26N2O4/c1-4-17(15-8-6-5-7-9-15)23(27)24-13-12-16-14-18-19(28-2)10-11-20(29-3)21(18)25-22(16)26/h5-11,14,17H,4,12-13H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyOFFSRSSBXMJMNM-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.40
Rot. Bonds8

About N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide

N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide (PubChem CID 4605558) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
PubChem CID4605558
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O)c1ccccc1
InChIInChI=1S/C23H26N2O4/c1-4-17(15-8-6-5-7-9-15)23(27)24-13-12-16-14-18-19(28-2)10-11-20(29-3)21(18)25-22(16)26/h5-11,14,17H,4,12-13H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyOFFSRSSBXMJMNM-UHFFFAOYSA-N
XLogP3.40
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 5070810
2-chloro-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136765
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 5197848
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 110602465
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110602477
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide
CID 5223437
4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 3497039
1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methoxyethyl)thiourea
CID 7080770
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
CID 3469942
1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methylphenyl)thiourea
CID 7137023
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-nitrobenzamide
CID 4163483
1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-fluorophenyl)thiourea
CID 7137035

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide?
The IUPAC name of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide (CID 4605558) is N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide is CCC(C(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide?
The InChIKey is OFFSRSSBXMJMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-17(15-8-6-5-7-9-15)23(27)24-13-12-16-14-18-19(28-2)10-11-20(29-3)21(18)25-22(16)26/h5-11,14,17H,4,12-13H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide?
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide has a molecular weight of 394.47 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide is sourced from PubChem (CID 4605558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).