4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide

C27H24N2O4 — CID 108790302

IUPAC4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4ccccc4N4CCOCC4)cc3)cc(=O)c2c1
InChIInChI=1S/C27H24N2O4/c1-18-6-11-25-21(16-18)24(30)17-26(33-25)19-7-9-20(10-8-19)27(31)28-22-4-2-3-5-23(22)29-12-14-32-15-13-29/h2-11,16-17H,12-15H2,1H3,(H,28,31)
InChIKeyHCBHJILRHDSGPU-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.86
Rot. Bonds4

About 4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide

4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide (PubChem CID 108790302) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide
PubChem CID108790302
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4ccccc4N4CCOCC4)cc3)cc(=O)c2c1
InChIInChI=1S/C27H24N2O4/c1-18-6-11-25-21(16-18)24(30)17-26(33-25)19-7-9-20(10-8-19)27(31)28-22-4-2-3-5-23(22)29-12-14-32-15-13-29/h2-11,16-17H,12-15H2,1H3,(H,28,31)
InChIKeyHCBHJILRHDSGPU-UHFFFAOYSA-N
XLogP4.86
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 108803013
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790358
4-[(R)-methylsulfinyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 95332749
N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790210
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-pyridinyl)benzamide
CID 108803125
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide (CID 108790302) is 4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)Nc4ccccc4N4CCOCC4)cc3)cc(=O)c2c1.
What is the InChIKey of 4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide?
The InChIKey is HCBHJILRHDSGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-18-6-11-25-21(16-18)24(30)17-26(33-25)19-7-9-20(10-8-19)27(31)28-22-4-2-3-5-23(22)29-12-14-32-15-13-29/h2-11,16-17H,12-15H2,1H3,(H,28,31).
What are the key properties of 4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide?
4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide has a molecular weight of 440.50 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 108790302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).