N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide

C17H22N2O3 — CID 3243645

IUPACN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C17H22N2O3/c1-3-4-5-16(20)18-9-8-13-10-12-6-7-14(22-2)11-15(12)19-17(13)21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPHPJGWMTRLOMCW-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.39
Rot. Bonds7

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

N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide (PubChem CID 3243645) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide
PubChem CID3243645
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C17H22N2O3/c1-3-4-5-16(20)18-9-8-13-10-12-6-7-14(22-2)11-15(12)19-17(13)21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPHPJGWMTRLOMCW-UHFFFAOYSA-N
XLogP2.39
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Ucm1014
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4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
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5-methoxy-3-phenyl-1H-quinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide (CID 3243645) is N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide is CCCCC(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O.
What is the InChIKey of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide?
The InChIKey is PHPJGWMTRLOMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-4-5-16(20)18-9-8-13-10-12-6-7-14(22-2)11-15(12)19-17(13)21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide?
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide has a molecular weight of 302.37 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pentanamide is sourced from PubChem (CID 3243645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).