N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

C30H29N5O2 — CID 176904789

IUPACN-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)cc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C30H29N5O2/c1-34-15-17-35(18-16-34)22-11-7-21(8-12-22)30(36)33-27-19-25-24-5-3-4-6-26(24)31-29(25)28(32-27)20-9-13-23(37-2)14-10-20/h3-14,19,31H,15-18H2,1-2H3,(H,32,33,36)
InChIKeyMQMDFNOBCUZAFZ-UHFFFAOYSA-N
MW491.60 g/mol
LogP5.40
Rot. Bonds5

About N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 176904789) has the molecular formula C30H29N5O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID176904789
Molecular FormulaC30H29N5O2
Molecular Weight491.60 g/mol
Exact Mass491.23
IUPAC NameN-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)cc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C30H29N5O2/c1-34-15-17-35(18-16-34)22-11-7-21(8-12-22)30(36)33-27-19-25-24-5-3-4-6-26(24)31-29(25)28(32-27)20-9-13-23(37-2)14-10-20/h3-14,19,31H,15-18H2,1-2H3,(H,32,33,36)
InChIKeyMQMDFNOBCUZAFZ-UHFFFAOYSA-N
XLogP5.40
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 141471155
N-[1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzamide
CID 176904793
N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide
CID 172718111
1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 57392198
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide
CID 171512836
phenyl N-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamate
CID 70654499
N-[3-hydroxy-2-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 59017240
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407
[4-[(4-methoxybenzoyl)amino]-3-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]phenyl] 4-methoxybenzoate
CID 56850259
N-[2-methoxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 12972261
4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide
CID 70984210

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 176904789) is N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is COc1ccc(-c2nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)cc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is MQMDFNOBCUZAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2/c1-34-15-17-35(18-16-34)22-11-7-21(8-12-22)30(36)33-27-19-25-24-5-3-4-6-26(24)31-29(25)28(32-27)20-9-13-23(37-2)14-10-20/h3-14,19,31H,15-18H2,1-2H3,(H,32,33,36).
What are the key properties of N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 491.60 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 176904789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).