7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide

C17H20N2O3 — CID 119059354

IUPAC7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)NCC3(C)COC3)cc(C)nc2c1
InChIInChI=1S/C17H20N2O3/c1-11-6-14(16(20)18-8-17(2)9-22-10-17)13-5-4-12(21-3)7-15(13)19-11/h4-7H,8-10H2,1-3H3,(H,18,20)
InChIKeyFCAMKMXEXPMGHW-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.32
Rot. Bonds4

About 7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide

7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide (PubChem CID 119059354) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide
PubChem CID119059354
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)NCC3(C)COC3)cc(C)nc2c1
InChIInChI=1S/C17H20N2O3/c1-11-6-14(16(20)18-8-17(2)9-22-10-17)13-5-4-12(21-3)7-15(13)19-11/h4-7H,8-10H2,1-3H3,(H,18,20)
InChIKeyFCAMKMXEXPMGHW-UHFFFAOYSA-N
XLogP2.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-7-methoxy-2-methylquinoline-4-carboxamide
CID 119061251
7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
CID 119071112
7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide
CID 118780364
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 113235126
2-(4-methoxyphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956861
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide
CID 111486130
N-[2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methoxy-2-methylquinoline-4-carboxamide
CID 170539763
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 78956870
3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957615
methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate
CID 82578206
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291486

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide (CID 119059354) is 7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide is COc1ccc2c(C(=O)NCC3(C)COC3)cc(C)nc2c1.
What is the InChIKey of 7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide?
The InChIKey is FCAMKMXEXPMGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-6-14(16(20)18-8-17(2)9-22-10-17)13-5-4-12(21-3)7-15(13)19-11/h4-7H,8-10H2,1-3H3,(H,18,20).
What are the key properties of 7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide?
7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 119059354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).