2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide

C29H37N3O3 — CID 139341969

IUPAC2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide
SMILESCOc1cc2cc(-c3ccc(CC(=O)NC4(C)CCCCCCCCC4)cn3)cnc2cc1OC
InChIInChI=1S/C29H37N3O3/c1-29(13-9-7-5-4-6-8-10-14-29)32-28(33)15-21-11-12-24(30-19-21)23-16-22-17-26(34-2)27(35-3)18-25(22)31-20-23/h11-12,16-20H,4-10,13-15H2,1-3H3,(H,32,33)
InChIKeyWPBSXKFVSQBZCA-UHFFFAOYSA-N
MW475.63 g/mol
LogP6.26
Rot. Bonds6

About 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide

2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide (PubChem CID 139341969) has the molecular formula C29H37N3O3 and a molecular weight of 475.63 g/mol. Its IUPAC name is 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide.

Molecular Properties

Compound Name2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide
PubChem CID139341969
Molecular FormulaC29H37N3O3
Molecular Weight475.63 g/mol
Exact Mass475.28
IUPAC Name2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide
SMILESCOc1cc2cc(-c3ccc(CC(=O)NC4(C)CCCCCCCCC4)cn3)cnc2cc1OC
InChIInChI=1S/C29H37N3O3/c1-29(13-9-7-5-4-6-8-10-14-29)32-28(33)15-21-11-12-24(30-19-21)23-16-22-17-26(34-2)27(35-3)18-25(22)31-20-23/h11-12,16-20H,4-10,13-15H2,1-3H3,(H,32,33)
InChIKeyWPBSXKFVSQBZCA-UHFFFAOYSA-N
XLogP6.26
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;methanesulfonic acid
CID 146315646
2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 163322128
2-(4-aminophenyl)-N-(1-methylcyclopentyl)acetamide;hydrochloride
CID 119736524
2-(3-aminophenyl)-N-(1-methylcyclopentyl)acetamide
CID 55083856
ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate
CID 10042684
3-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline
CID 10065445
2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121196651
3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline
CID 56596003
2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 110634746
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403
1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea
CID 125438610
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 65113958

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide?
The IUPAC name of 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide (CID 139341969) is 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide.
What is the SMILES notation for 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide?
The canonical SMILES for 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide is COc1cc2cc(-c3ccc(CC(=O)NC4(C)CCCCCCCCC4)cn3)cnc2cc1OC.
What is the InChIKey of 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide?
The InChIKey is WPBSXKFVSQBZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O3/c1-29(13-9-7-5-4-6-8-10-14-29)32-28(33)15-21-11-12-24(30-19-21)23-16-22-17-26(34-2)27(35-3)18-25(22)31-20-23/h11-12,16-20H,4-10,13-15H2,1-3H3,(H,32,33).
What are the key properties of 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide?
2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide has a molecular weight of 475.63 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-(1-methylcyclodecyl)acetamide is sourced from PubChem (CID 139341969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).