methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate

C34H32FNO4 — CID 22895158

IUPACmethyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate
SMILESCOC(=O)c1c2c(c3cc(OC)ccc3c1C)OC(c1ccc(N3CCCCC3)cc1)(c1ccccc1F)C=C2
InChIInChI=1S/C34H32FNO4/c1-22-26-16-15-25(38-2)21-28(26)32-27(31(22)33(37)39-3)17-18-34(40-32,29-9-5-6-10-30(29)35)23-11-13-24(14-12-23)36-19-7-4-8-20-36/h5-6,9-18,21H,4,7-8,19-20H2,1-3H3
InChIKeyWGVMCUVRMPNAGC-UHFFFAOYSA-N
MW537.63 g/mol
LogP7.42
Rot. Bonds5

About methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate

methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate (PubChem CID 22895158) has the molecular formula C34H32FNO4 and a molecular weight of 537.63 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate
PubChem CID22895158
Molecular FormulaC34H32FNO4
Molecular Weight537.63 g/mol
Exact Mass537.23
IUPAC Namemethyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate
SMILESCOC(=O)c1c2c(c3cc(OC)ccc3c1C)OC(c1ccc(N3CCCCC3)cc1)(c1ccccc1F)C=C2
InChIInChI=1S/C34H32FNO4/c1-22-26-16-15-25(38-2)21-28(26)32-27(31(22)33(37)39-3)17-18-34(40-32,29-9-5-6-10-30(29)35)23-11-13-24(14-12-23)36-19-7-4-8-20-36/h5-6,9-18,21H,4,7-8,19-20H2,1-3H3
InChIKeyWGVMCUVRMPNAGC-UHFFFAOYSA-N
XLogP7.42
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.63
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate 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

methyl 9-methoxy-6-methyl-2,2-bis[3-(trifluoromethyl)phenyl]benzo[h]chromene-5-carboxylate
CID 87780748
methyl 2-(4-methoxyphenyl)-9-methyl-5-morpholin-4-yl-2-phenylbenzo[h]chromene-6-carboxylate
CID 18316928
methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate
CID 156852937
methyl 8-methoxy-2-(4-methoxyphenyl)-2-(4-morpholin-4-ylphenyl)benzo[h]chromene-5-carboxylate
CID 142000325
2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid
CID 156852926
methyl 9-(dimethylamino)-2-(4-methoxyphenyl)-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate
CID 21076405
ethane;methyl 8-[4-(4-methylphenyl)phenyl]-2-phenyl-2-(4-pyrrolidin-1-ylphenyl)benzo[h]chromene-5-carboxylate
CID 143661435
5-O-methyl 8-O-[4-[4-[4-(4-pentylcyclohexyl)benzoyl]oxyphenyl]cyclohexyl] 6-methyl-2-phenyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5,8-dicarboxylate
CID 90414935
[3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromen-8-yl]-phenylmethanone
CID 3448509
4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine
CID 20721578
methyl 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-2-phenyl-8-[(4-phenylphenyl)carbamoyl]benzo[h]chromene-5-carboxylate
CID 66995549
4-[4-[10-methoxy-5-(4-methoxyphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene-21,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl]phenyl]morpholine
CID 122381778

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate (CID 22895158) is methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate is COC(=O)c1c2c(c3cc(OC)ccc3c1C)OC(c1ccc(N3CCCCC3)cc1)(c1ccccc1F)C=C2.
What is the InChIKey of methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate?
The InChIKey is WGVMCUVRMPNAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FNO4/c1-22-26-16-15-25(38-2)21-28(26)32-27(31(22)33(37)39-3)17-18-34(40-32,29-9-5-6-10-30(29)35)23-11-13-24(14-12-23)36-19-7-4-8-20-36/h5-6,9-18,21H,4,7-8,19-20H2,1-3H3.
What are the key properties of methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate?
methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate has a molecular weight of 537.63 g/mol, XLogP of 7.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-9-methoxy-6-methyl-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate is sourced from PubChem (CID 22895158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).