6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide

C18H22ClN3O2 — CID 120890313

IUPAC6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide
SMILESCOCC1(CNC(=O)c2cc(Cl)cc3cccnc23)CCNCC1
InChIInChI=1S/C18H22ClN3O2/c1-24-12-18(4-7-20-8-5-18)11-22-17(23)15-10-14(19)9-13-3-2-6-21-16(13)15/h2-3,6,9-10,20H,4-5,7-8,11-12H2,1H3,(H,22,23)
InChIKeyXUGRYDPMXMHAFI-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.63
Rot. Bonds5

About 6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide

6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide (PubChem CID 120890313) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide
PubChem CID120890313
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide
SMILESCOCC1(CNC(=O)c2cc(Cl)cc3cccnc23)CCNCC1
InChIInChI=1S/C18H22ClN3O2/c1-24-12-18(4-7-20-8-5-18)11-22-17(23)15-10-14(19)9-13-3-2-6-21-16(13)15/h2-3,6,9-10,20H,4-5,7-8,11-12H2,1H3,(H,22,23)
InChIKeyXUGRYDPMXMHAFI-UHFFFAOYSA-N
XLogP2.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride
CID 120889018
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 120890644
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
3-(2-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 120890243
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 120888008
6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide
CID 55881590
3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride
CID 120891725
2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride
CID 120890702
6-chloro-N-piperidin-4-ylquinoline-8-carboxamide
CID 119386656
6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
CID 120890655
3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 120889975

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide (CID 120890313) is 6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide is COCC1(CNC(=O)c2cc(Cl)cc3cccnc23)CCNCC1.
What is the InChIKey of 6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide?
The InChIKey is XUGRYDPMXMHAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-24-12-18(4-7-20-8-5-18)11-22-17(23)15-10-14(19)9-13-3-2-6-21-16(13)15/h2-3,6,9-10,20H,4-5,7-8,11-12H2,1H3,(H,22,23).
What are the key properties of 6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide?
6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 120890313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).