7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide

C16H20N2O4 — CID 11573063

IUPAC7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(N)=O)c(=O)[nH]c12
InChIInChI=1S/C16H20N2O4/c1-3-4-5-8-22-14-12(21-2)7-6-10-9-11(15(17)19)16(20)18-13(10)14/h6-7,9H,3-5,8H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyYWSRDNYZSGPAOD-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.20
Rot. Bonds7

About 7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide

7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide (PubChem CID 11573063) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
PubChem CID11573063
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(N)=O)c(=O)[nH]c12
InChIInChI=1S/C16H20N2O4/c1-3-4-5-8-22-14-12(21-2)7-6-10-9-11(15(17)19)16(20)18-13(10)14/h6-7,9H,3-5,8H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyYWSRDNYZSGPAOD-UHFFFAOYSA-N
XLogP2.20
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11509456
N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 91347123
(2R)-2-[(7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carbonyl)amino]-3-phenylpropanoic acid
CID 142970414
N-[2-(3,4-dihydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11626344
N-[2-(4-aminophenyl)ethyl]-8-butoxy-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 70685024
benzyl 1-[(7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 11306720
8-butoxy-N-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 56673163
2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid
CID 141025690
4-methoxy-3-pentoxybenzamide
CID 82041442
2,3,4-tridodecoxybenzamide
CID 172754331
7-methoxy-1-methyl-8-pentoxyquinolin-2-one
CID 141025683
N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide
CID 142970240

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide (CID 11573063) is 7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide is CCCCCOc1c(OC)ccc2cc(C(N)=O)c(=O)[nH]c12.
What is the InChIKey of 7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The InChIKey is YWSRDNYZSGPAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-4-5-8-22-14-12(21-2)7-6-10-9-11(15(17)19)16(20)18-13(10)14/h6-7,9H,3-5,8H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide is sourced from PubChem (CID 11573063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).