8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide

C16H18N2O4 — CID 43831833

IUPAC8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
SMILESCOc1cccc2c(=O)c(C(=O)NCC3CCCO3)c[nH]c12
InChIInChI=1S/C16H18N2O4/c1-21-13-6-2-5-11-14(13)17-9-12(15(11)19)16(20)18-8-10-4-3-7-22-10/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyDXTGCFIKXRHPOG-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.45
Rot. Bonds4

About 8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide

8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide (PubChem CID 43831833) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
PubChem CID43831833
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
SMILESCOc1cccc2c(=O)c(C(=O)NCC3CCCO3)c[nH]c12
InChIInChI=1S/C16H18N2O4/c1-21-13-6-2-5-11-14(13)17-9-12(15(11)19)16(20)18-8-10-4-3-7-22-10/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyDXTGCFIKXRHPOG-UHFFFAOYSA-N
XLogP1.45
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
CID 25322575
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
7-methoxy-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
CID 51684426
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 7554172
3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one
CID 10016783
2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110849461
2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133202124
5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391661
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544
3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid
CID 167919642

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide (CID 43831833) is 8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide is COc1cccc2c(=O)c(C(=O)NCC3CCCO3)c[nH]c12.
What is the InChIKey of 8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide?
The InChIKey is DXTGCFIKXRHPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-21-13-6-2-5-11-14(13)17-9-12(15(11)19)16(20)18-8-10-4-3-7-22-10/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide?
8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 43831833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).