1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide

C24H22N2O2 — CID 11559736

IUPAC1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide
SMILESCCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc21
InChIInChI=1S/C24H22N2O2/c1-2-3-15-26-16-20(23(27)19-12-6-7-14-22(19)26)24(28)25-21-13-8-10-17-9-4-5-11-18(17)21/h4-14,16H,2-3,15H2,1H3,(H,25,28)
InChIKeyPSVQDQDTYIMIFS-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.21
Rot. Bonds5

About 1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide

1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide (PubChem CID 11559736) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide
PubChem CID11559736
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide
SMILESCCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc21
InChIInChI=1S/C24H22N2O2/c1-2-3-15-26-16-20(23(27)19-12-6-7-14-22(19)26)24(28)25-21-13-8-10-17-9-4-5-11-18(17)21/h4-14,16H,2-3,15H2,1H3,(H,25,28)
InChIKeyPSVQDQDTYIMIFS-UHFFFAOYSA-N
XLogP5.21
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide (CID 11559736) is 1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide is CCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc21.
What is the InChIKey of 1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide?
The InChIKey is PSVQDQDTYIMIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-2-3-15-26-16-20(23(27)19-12-6-7-14-22(19)26)24(28)25-21-13-8-10-17-9-4-5-11-18(17)21/h4-14,16H,2-3,15H2,1H3,(H,25,28).
What are the key properties of 1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide?
1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-naphthalen-1-yl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 11559736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).