N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide

C28H33N5O4 — CID 26330353

IUPACN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(CN(Cc2cc3c(OC)ccc(OC)c3nc2N(C)C)C(=O)c2cc(C)nn2C)cc1
InChIInChI=1S/C28H33N5O4/c1-18-14-23(32(4)30-18)28(34)33(16-19-8-10-21(35-5)11-9-19)17-20-15-22-24(36-6)12-13-25(37-7)26(22)29-27(20)31(2)3/h8-15H,16-17H2,1-7H3
InChIKeyWPQQDURYDBWOFI-UHFFFAOYSA-N
MW503.60 g/mol
LogP4.21
Rot. Bonds9

About N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 26330353) has the molecular formula C28H33N5O4 and a molecular weight of 503.60 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID26330353
Molecular FormulaC28H33N5O4
Molecular Weight503.60 g/mol
Exact Mass503.25
IUPAC NameN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(CN(Cc2cc3c(OC)ccc(OC)c3nc2N(C)C)C(=O)c2cc(C)nn2C)cc1
InChIInChI=1S/C28H33N5O4/c1-18-14-23(32(4)30-18)28(34)33(16-19-8-10-21(35-5)11-9-19)17-20-15-22-24(36-6)12-13-25(37-7)26(22)29-27(20)31(2)3/h8-15H,16-17H2,1-7H3
InChIKeyWPQQDURYDBWOFI-UHFFFAOYSA-N
XLogP4.21
TPSA81.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 118758559
N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide
CID 26336566
N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]thiophene-2-carboxamide
CID 26397490
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 28640566
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]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 28739477
N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 122598450
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
(2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105098356
N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 122598486
N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 61057739

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 26330353) is N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide is COc1ccc(CN(Cc2cc3c(OC)ccc(OC)c3nc2N(C)C)C(=O)c2cc(C)nn2C)cc1.
What is the InChIKey of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is WPQQDURYDBWOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O4/c1-18-14-23(32(4)30-18)28(34)33(16-19-8-10-21(35-5)11-9-19)17-20-15-22-24(36-6)12-13-25(37-7)26(22)29-27(20)31(2)3/h8-15H,16-17H2,1-7H3.
What are the key properties of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 503.60 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 26330353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).