N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide

C34H34N4O5 — CID 98337602

IUPACN-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide
SMILESCOc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1CN(C[C@H]1CCCO1)C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C34H34N4O5/c1-40-29-10-5-4-9-27(29)32-24(20-28-30(41-2)15-16-31(42-3)33(28)36-32)21-37(22-26-8-6-19-43-26)34(39)23-11-13-25(14-12-23)38-18-7-17-35-38/h4-5,7,9-18,20,26H,6,8,19,21-22H2,1-3H3/t26-/m1/s1
InChIKeyIALZQWYCZFCMNB-AREMUKBSSA-N
MW578.67 g/mol
LogP5.93
Rot. Bonds10

About N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide

N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide (PubChem CID 98337602) has the molecular formula C34H34N4O5 and a molecular weight of 578.67 g/mol. Its IUPAC name is N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide
PubChem CID98337602
Molecular FormulaC34H34N4O5
Molecular Weight578.67 g/mol
Exact Mass578.25
IUPAC NameN-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide
SMILESCOc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1CN(C[C@H]1CCCO1)C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C34H34N4O5/c1-40-29-10-5-4-9-27(29)32-24(20-28-30(41-2)15-16-31(42-3)33(28)36-32)21-37(22-26-8-6-19-43-26)34(39)23-11-13-25(14-12-23)38-18-7-17-35-38/h4-5,7,9-18,20,26H,6,8,19,21-22H2,1-3H3/t26-/m1/s1
InChIKeyIALZQWYCZFCMNB-AREMUKBSSA-N
XLogP5.93
TPSA87.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide 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

N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 45244682
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26352971
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 26397869
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 55763179
N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 26326345
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968511
4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
N-[(2-methoxyphenyl)methyl]-1,3-dioxo-N,2-bis(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55968894
5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93143277

Frequently Asked Questions

What is the IUPAC name of N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide (CID 98337602) is N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide is COc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1CN(C[C@H]1CCCO1)C(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is IALZQWYCZFCMNB-AREMUKBSSA-N. The full InChI is InChI=1S/C34H34N4O5/c1-40-29-10-5-4-9-27(29)32-24(20-28-30(41-2)15-16-31(42-3)33(28)36-32)21-37(22-26-8-6-19-43-26)34(39)23-11-13-25(14-12-23)38-18-7-17-35-38/h4-5,7,9-18,20,26H,6,8,19,21-22H2,1-3H3/t26-/m1/s1.
What are the key properties of N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide?
N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 578.67 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 98337602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).