2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one

C27H34N2O6 — CID 135126189

IUPAC2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3cc(C)c(OC[C@H](O)CN4CCN(C)CC4)c(C)c3)oc2c1
InChIInChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
InChIKeyUDPXIEUTIPNLKC-HXUWFJFHSA-N
MW482.58 g/mol
LogP3.08
Rot. Bonds8

About 2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one

2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one (PubChem CID 135126189) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
PubChem CID135126189
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC Name2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3cc(C)c(OC[C@H](O)CN4CCN(C)CC4)c(C)c3)oc2c1
InChIInChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
InChIKeyUDPXIEUTIPNLKC-HXUWFJFHSA-N
XLogP3.08
TPSA84.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one 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

Rohitukine
CID 13422573
Flavodilol
CID 54410
7-Benzyloxy-2-(morpholin-4-yl)-chromen-4-one
CID 11522900
CID 13422576
CID 13422576
7-Ethyloxyethoxy-2-morpholin-4-yl-chromen-4-one
CID 11529823
7-Phenyloxyethoxy-2-morpholin-4-yl-chromen-4-one
CID 11566823
7-Phenylethoxy-2-morpholin-4-yl-chromen-4-one
CID 11624481
3-cyclohexyl-5-fluoro-6-methyl-7-(2-morpholin-4-ylethoxy)-4H-chromen-4-one
CID 73755208
5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-2-(3-methylphenyl)-2,3-dihydrochromen-4-one
CID 168281565
2-(2-ethylphenyl)-5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-2,3-dihydrochromen-4-one
CID 168289379
5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-2-phenyl-2,3-dihydrochromen-4-one
CID 168289661
Mmpem-benzopyran-4-one
CID 4742792

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one?
The IUPAC name of 2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one (CID 135126189) is 2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one?
The canonical SMILES for 2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one is COc1cc(OC)c2c(=O)cc(-c3cc(C)c(OC[C@H](O)CN4CCN(C)CC4)c(C)c3)oc2c1.
What is the InChIKey of 2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one?
The InChIKey is UDPXIEUTIPNLKC-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one?
2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one has a molecular weight of 482.58 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one is sourced from PubChem (CID 135126189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).