2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide

C28H29N5O2 — CID 30659242

IUPAC2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)c3ccccc3n2)cc1
InChIInChI=1S/C28H29N5O2/c1-32-13-15-33(16-14-32)27-12-7-20(18-29-27)19-30-28(34)24-17-26(21-8-10-22(35-2)11-9-21)31-25-6-4-3-5-23(24)25/h3-12,17-18H,13-16,19H2,1-2H3,(H,30,34)
InChIKeyAWKBVUFPZKXORP-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.99
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide (PubChem CID 30659242) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide
PubChem CID30659242
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)c3ccccc3n2)cc1
InChIInChI=1S/C28H29N5O2/c1-32-13-15-33(16-14-32)27-12-7-20(18-29-27)19-30-28(34)24-17-26(21-8-10-22(35-2)11-9-21)31-25-6-4-3-5-23(24)25/h3-12,17-18H,13-16,19H2,1-2H3,(H,30,34)
InChIKeyAWKBVUFPZKXORP-UHFFFAOYSA-N
XLogP3.99
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31008067
N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-4-phenoxybenzamide
CID 47050637
3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31007571
(5-methyl-1,2-oxazol-3-yl)methyl-[[4-[[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamic acid
CID 69027613
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 55533813
2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482299
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide (CID 30659242) is 2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide?
The InChIKey is AWKBVUFPZKXORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-32-13-15-33(16-14-32)27-12-7-20(18-29-27)19-30-28(34)24-17-26(21-8-10-22(35-2)11-9-21)31-25-6-4-3-5-23(24)25/h3-12,17-18H,13-16,19H2,1-2H3,(H,30,34).
What are the key properties of 2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 30659242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).