N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide

C31H35N5O2 — CID 174754295

IUPACN-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide
SMILESCCN1CCN(Cc2ccc3nccc(NCc4cccc(NC(=O)c5ccc(OC)cc5)c4)c3c2)CC1
InChIInChI=1S/C31H35N5O2/c1-3-35-15-17-36(18-16-35)22-24-7-12-29-28(20-24)30(13-14-32-29)33-21-23-5-4-6-26(19-23)34-31(37)25-8-10-27(38-2)11-9-25/h4-14,19-20H,3,15-18,21-22H2,1-2H3,(H,32,33)(H,34,37)
InChIKeyVAAFRKRUHDGEMZ-UHFFFAOYSA-N
MW509.65 g/mol
LogP5.25
Rot. Bonds9

About N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide

N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide (PubChem CID 174754295) has the molecular formula C31H35N5O2 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide
PubChem CID174754295
Molecular FormulaC31H35N5O2
Molecular Weight509.65 g/mol
Exact Mass509.28
IUPAC NameN-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide
SMILESCCN1CCN(Cc2ccc3nccc(NCc4cccc(NC(=O)c5ccc(OC)cc5)c4)c3c2)CC1
InChIInChI=1S/C31H35N5O2/c1-3-35-15-17-36(18-16-35)22-24-7-12-29-28(20-24)30(13-14-32-29)33-21-23-5-4-6-26(19-23)34-31(37)25-8-10-27(38-2)11-9-25/h4-14,19-20H,3,15-18,21-22H2,1-2H3,(H,32,33)(H,34,37)
InChIKeyVAAFRKRUHDGEMZ-UHFFFAOYSA-N
XLogP5.25
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide with MolForge

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Related Compounds

4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 174753942
N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]naphthalene-2-carboxamide
CID 44536805
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 46263374
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19508813
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 4888718
N-(4-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919706
N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
CID 111112630
4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225786
N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
CID 52751437
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide (CID 174754295) is N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide is CCN1CCN(Cc2ccc3nccc(NCc4cccc(NC(=O)c5ccc(OC)cc5)c4)c3c2)CC1.
What is the InChIKey of N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide?
The InChIKey is VAAFRKRUHDGEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O2/c1-3-35-15-17-36(18-16-35)22-24-7-12-29-28(20-24)30(13-14-32-29)33-21-23-5-4-6-26(19-23)34-31(37)25-8-10-27(38-2)11-9-25/h4-14,19-20H,3,15-18,21-22H2,1-2H3,(H,32,33)(H,34,37).
What are the key properties of N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide?
N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide has a molecular weight of 509.65 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[6-[(4-ethylpiperazin-1-yl)methyl]quinolin-4-yl]amino]methyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 174754295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).