4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide

C26H18N2O3 — CID 108790350

IUPAC4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4cccc5cccnc45)cc3)cc(=O)c2c1
InChIInChI=1S/C26H18N2O3/c1-16-7-12-23-20(14-16)22(29)15-24(31-23)17-8-10-19(11-9-17)26(30)28-21-6-2-4-18-5-3-13-27-25(18)21/h2-15H,1H3,(H,28,30)
InChIKeyLMVCRZDBAMRKLE-UHFFFAOYSA-N
MW406.44 g/mol
LogP5.57
Rot. Bonds3

About 4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide

4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide (PubChem CID 108790350) has the molecular formula C26H18N2O3 and a molecular weight of 406.44 g/mol. Its IUPAC name is 4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide
PubChem CID108790350
Molecular FormulaC26H18N2O3
Molecular Weight406.44 g/mol
Exact Mass406.13
IUPAC Name4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4cccc5cccnc45)cc3)cc(=O)c2c1
InChIInChI=1S/C26H18N2O3/c1-16-7-12-23-20(14-16)22(29)15-24(31-23)17-8-10-19(11-9-17)26(30)28-21-6-2-4-18-5-3-13-27-25(18)21/h2-15H,1H3,(H,28,30)
InChIKeyLMVCRZDBAMRKLE-UHFFFAOYSA-N
XLogP5.57
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790173
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-pyridinyl)benzamide
CID 108803125
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 108790302
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790358
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803042
4-(6-methyl-4-oxochromen-2-yl)-N-(3-nitrophenyl)benzamide
CID 108803167

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide?
The IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide (CID 108790350) is 4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide is Cc1ccc2oc(-c3ccc(C(=O)Nc4cccc5cccnc45)cc3)cc(=O)c2c1.
What is the InChIKey of 4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide?
The InChIKey is LMVCRZDBAMRKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O3/c1-16-7-12-23-20(14-16)22(29)15-24(31-23)17-8-10-19(11-9-17)26(30)28-21-6-2-4-18-5-3-13-27-25(18)21/h2-15H,1H3,(H,28,30).
What are the key properties of 4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide?
4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide has a molecular weight of 406.44 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 108790350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).