N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide

C18H22N2O3 — CID 109399670

IUPACN-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)N(C)CC3CCCC3O)ccc2c1
InChIInChI=1S/C18H22N2O3/c1-20(11-13-4-3-5-17(13)21)18(22)16-8-6-12-10-14(23-2)7-9-15(12)19-16/h6-10,13,17,21H,3-5,11H2,1-2H3
InChIKeyMGFZIENATPDCFS-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.48
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide (PubChem CID 109399670) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
PubChem CID109399670
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)N(C)CC3CCCC3O)ccc2c1
InChIInChI=1S/C18H22N2O3/c1-20(11-13-4-3-5-17(13)21)18(22)16-8-6-12-10-14(23-2)7-9-15(12)19-16/h6-10,13,17,21H,3-5,11H2,1-2H3
InChIKeyMGFZIENATPDCFS-UHFFFAOYSA-N
XLogP2.48
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxypropyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 95972027
2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide
CID 109399821
N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide
CID 38283237
1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 109397032
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 71927992
N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 86839473
cyclohexyl 6-methoxyquinoline-2-carboxylate
CID 24585683
N-ethyl-N-(2-hydroxyethyl)-6-methoxyquinoline-2-carboxamide
CID 110886561
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide
CID 110003292
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-phenoxypyridine-2-carboxamide
CID 109399798
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride
CID 120946976

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide (CID 109399670) is N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide is COc1ccc2nc(C(=O)N(C)CC3CCCC3O)ccc2c1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide?
The InChIKey is MGFZIENATPDCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20(11-13-4-3-5-17(13)21)18(22)16-8-6-12-10-14(23-2)7-9-15(12)19-16/h6-10,13,17,21H,3-5,11H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 109399670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).