4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride

C25H21ClN2O4 — CID 90485217

IUPAC4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)c2ccc(C(=O)Nc3ccc4ncccc4c3)cc2)c1.Cl
InChIInChI=1S/C25H20N2O4.ClH/c1-30-21-13-19(14-22(15-21)31-2)24(28)16-5-7-17(8-6-16)25(29)27-20-9-10-23-18(12-20)4-3-11-26-23;/h3-15H,1-2H3,(H,27,29);1H
InChIKeyFPKODEPJNOIZJQ-UHFFFAOYSA-N
MW448.91 g/mol
LogP5.16
Rot. Bonds6

About 4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride

4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride (PubChem CID 90485217) has the molecular formula C25H21ClN2O4 and a molecular weight of 448.91 g/mol. Its IUPAC name is 4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride
PubChem CID90485217
Molecular FormulaC25H21ClN2O4
Molecular Weight448.91 g/mol
Exact Mass448.12
IUPAC Name4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)c2ccc(C(=O)Nc3ccc4ncccc4c3)cc2)c1.Cl
InChIInChI=1S/C25H20N2O4.ClH/c1-30-21-13-19(14-22(15-21)31-2)24(28)16-5-7-17(8-6-16)25(29)27-20-9-10-23-18(12-20)4-3-11-26-23;/h3-15H,1-2H3,(H,27,29);1H
InChIKeyFPKODEPJNOIZJQ-UHFFFAOYSA-N
XLogP5.16
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.91
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-quinolin-6-ylbenzamide
CID 833617
3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
CID 78878548
3-methoxy-4-prop-2-enoxy-N-quinolin-6-ylbenzamide
CID 60555760
2-(2-methoxyethoxy)-N-quinolin-6-ylpyridine-3-carboxamide
CID 60573798
3,5-dibromo-N-quinolin-6-ylbenzamide
CID 107980427
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
6-amino-N-quinolin-6-ylpyridine-3-carboxamide
CID 62642214
N-quinolin-6-yl-3-sulfanylbenzamide
CID 107028522
(3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate
CID 166095721
2-(methylamino)-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640761
N-(4-methoxyphenyl)-2-quinolin-6-yloxyacetamide
CID 112978693
4-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]-N-quinolin-6-ylbenzamide
CID 69211627

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride?
The IUPAC name of 4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride (CID 90485217) is 4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride is COc1cc(OC)cc(C(=O)c2ccc(C(=O)Nc3ccc4ncccc4c3)cc2)c1.Cl.
What is the InChIKey of 4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride?
The InChIKey is FPKODEPJNOIZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4.ClH/c1-30-21-13-19(14-22(15-21)31-2)24(28)16-5-7-17(8-6-16)25(29)27-20-9-10-23-18(12-20)4-3-11-26-23;/h3-15H,1-2H3,(H,27,29);1H.
What are the key properties of 4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride?
4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride has a molecular weight of 448.91 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride is sourced from PubChem (CID 90485217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).