N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide

C35H33N5O3 — CID 163323744

IUPACN-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)c2cc(-c3ccc(O)cc3)ccc2O)cc1
InChIInChI=1S/C35H33N5O3/c1-2-3-8-31-39-32-33(27-6-4-5-7-29(27)38-34(32)36)40(31)21-23-11-9-22(10-12-23)20-37-35(43)28-19-25(15-18-30(28)42)24-13-16-26(41)17-14-24/h4-7,9-19,41-42H,2-3,8,20-21H2,1H3,(H2,36,38)(H,37,43)
InChIKeyCIUMAEKVVCPSPX-UHFFFAOYSA-N
MW571.68 g/mol
LogP6.57
Rot. Bonds9

About N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide

N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide (PubChem CID 163323744) has the molecular formula C35H33N5O3 and a molecular weight of 571.68 g/mol. Its IUPAC name is N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide
PubChem CID163323744
Molecular FormulaC35H33N5O3
Molecular Weight571.68 g/mol
Exact Mass571.26
IUPAC NameN-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)c2cc(-c3ccc(O)cc3)ccc2O)cc1
InChIInChI=1S/C35H33N5O3/c1-2-3-8-31-39-32-33(27-6-4-5-7-29(27)38-34(32)36)40(31)21-23-11-9-22(10-12-23)20-37-35(43)28-19-25(15-18-30(28)42)24-13-16-26(41)17-14-24/h4-7,9-19,41-42H,2-3,8,20-21H2,1H3,(H2,36,38)(H,37,43)
InChIKeyCIUMAEKVVCPSPX-UHFFFAOYSA-N
XLogP6.57
TPSA126.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.68
LogP ≤ 56.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)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

CID 136060576
CID 136060576
CID 11650029
CID 11650029
CID 135703408
CID 135703408
CID 136060577
CID 136060577
CID 145966174
CID 145966174
CID 145974598
CID 145974598
CID 145975917
CID 145975917
CID 163196239
CID 163196239
CID 163323743
CID 163323743
CID 45263820
CID 45263820
CID 5275999
CID 5275999
CID 56758200
CID 56758200

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide?
The IUPAC name of N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide (CID 163323744) is N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide?
The canonical SMILES for N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)c2cc(-c3ccc(O)cc3)ccc2O)cc1.
What is the InChIKey of N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide?
The InChIKey is CIUMAEKVVCPSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O3/c1-2-3-8-31-39-32-33(27-6-4-5-7-29(27)38-34(32)36)40(31)21-23-11-9-22(10-12-23)20-37-35(43)28-19-25(15-18-30(28)42)24-13-16-26(41)17-14-24/h4-7,9-19,41-42H,2-3,8,20-21H2,1H3,(H2,36,38)(H,37,43).
What are the key properties of N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide?
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide has a molecular weight of 571.68 g/mol, XLogP of 6.57, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-hydroxy-5-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 163323744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).