4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

C30H29N3O4 — CID 108800008

IUPAC4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C30H29N3O4/c1-19-16-20(2)28-25(17-19)26(34)18-27(37-28)21-4-6-22(7-5-21)29(35)31-24-10-8-23(9-11-24)30(36)33-14-12-32(3)13-15-33/h4-11,16-18H,12-15H2,1-3H3,(H,31,35)
InChIKeyBEUNAXKOQFYDIL-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.72
Rot. Bonds4

About 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 108800008) has the molecular formula C30H29N3O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID108800008
Molecular FormulaC30H29N3O4
Molecular Weight495.58 g/mol
Exact Mass495.22
IUPAC Name4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C30H29N3O4/c1-19-16-20(2)28-25(17-19)26(34)18-27(37-28)21-4-6-22(7-5-21)29(35)31-24-10-8-23(9-11-24)30(36)33-14-12-32(3)13-15-33/h4-11,16-18H,12-15H2,1-3H3,(H,31,35)
InChIKeyBEUNAXKOQFYDIL-UHFFFAOYSA-N
XLogP4.72
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108786947
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799981
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 108799991
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787110
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide
CID 108787032
N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787054
N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787059
N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799914
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
2-[4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]-6,8-dimethylchromen-4-one
CID 108809786
N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799946

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (CID 108800008) is 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is Cc1cc(C)c2oc(-c3ccc(C(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)cc(=O)c2c1.
What is the InChIKey of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is BEUNAXKOQFYDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4/c1-19-16-20(2)28-25(17-19)26(34)18-27(37-28)21-4-6-22(7-5-21)29(35)31-24-10-8-23(9-11-24)30(36)33-14-12-32(3)13-15-33/h4-11,16-18H,12-15H2,1-3H3,(H,31,35).
What are the key properties of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 495.58 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 108800008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).