3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide

C30H31N3O3 — CID 10254630

IUPAC3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4)CC3)cccc2c1=O
InChIInChI=1S/C30H31N3O3/c1-22-27(34)25-14-8-15-26(29(25)36-28(22)23-10-4-2-5-11-23)30(35)31-16-9-17-32-18-20-33(21-19-32)24-12-6-3-7-13-24/h2-8,10-15H,9,16-21H2,1H3,(H,31,35)
InChIKeyXMPPERZAQRJCQQ-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.71
Rot. Bonds7

About 3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide

3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide (PubChem CID 10254630) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide
PubChem CID10254630
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Name3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4)CC3)cccc2c1=O
InChIInChI=1S/C30H31N3O3/c1-22-27(34)25-14-8-15-26(29(25)36-28(22)23-10-4-2-5-11-23)30(35)31-16-9-17-32-18-20-33(21-19-32)24-12-6-3-7-13-24/h2-8,10-15H,9,16-21H2,1H3,(H,31,35)
InChIKeyXMPPERZAQRJCQQ-UHFFFAOYSA-N
XLogP4.71
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972443
bis(2-(4-benzoylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxochromene-8-carboxamide);methanesulfonic acid;hydrate
CID 173328171
3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
CID 125433000
N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166187970
6-(dimethylamino)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972731
3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 2456791
3-piperidin-1-ylpropyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 13324430
6-(ethylamino)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972371
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide
CID 16606726
3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 60590384
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 41009907

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide?
The IUPAC name of 3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide (CID 10254630) is 3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4)CC3)cccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide?
The InChIKey is XMPPERZAQRJCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-22-27(34)25-14-8-15-26(29(25)36-28(22)23-10-4-2-5-11-23)30(35)31-16-9-17-32-18-20-33(21-19-32)24-12-6-3-7-13-24/h2-8,10-15H,9,16-21H2,1H3,(H,31,35).
What are the key properties of 3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide?
3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide is sourced from PubChem (CID 10254630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).