2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one

C32H38N2O6 — CID 170778888

IUPAC2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one
SMILESCCN(CCCN(C)c1ccc(-c2oc3c(OC)c(CO)ccc3c(=O)c2OC)cc1)Cc1ccccc1OC
InChIInChI=1S/C32H38N2O6/c1-6-34(20-23-10-7-8-11-27(23)37-3)19-9-18-33(2)25-15-12-22(13-16-25)30-32(39-5)28(36)26-17-14-24(21-35)29(38-4)31(26)40-30/h7-8,10-17,35H,6,9,18-21H2,1-5H3
InChIKeyFYYLEYCJNMQVKZ-UHFFFAOYSA-N
MW546.66 g/mol
LogP5.33
Rot. Bonds13

About 2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one

2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one (PubChem CID 170778888) has the molecular formula C32H38N2O6 and a molecular weight of 546.66 g/mol. Its IUPAC name is 2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one
PubChem CID170778888
Molecular FormulaC32H38N2O6
Molecular Weight546.66 g/mol
Exact Mass546.27
IUPAC Name2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one
SMILESCCN(CCCN(C)c1ccc(-c2oc3c(OC)c(CO)ccc3c(=O)c2OC)cc1)Cc1ccccc1OC
InChIInChI=1S/C32H38N2O6/c1-6-34(20-23-10-7-8-11-27(23)37-3)19-9-18-33(2)25-15-12-22(13-16-25)30-32(39-5)28(36)26-17-14-24(21-35)29(38-4)31(26)40-30/h7-8,10-17,35H,6,9,18-21H2,1-5H3
InChIKeyFYYLEYCJNMQVKZ-UHFFFAOYSA-N
XLogP5.33
TPSA84.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.66
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-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

2-[4-[4-[ethyl-[(2-methylphenyl)methyl]amino]butyl-methylamino]phenyl]-7-hydroxy-8-methoxy-3-methylchromen-4-one
CID 165142373
2-[4-[4-[ethyl-[(2-methoxyphenyl)methyl]amino]butoxy]phenyl]-5-hydroxy-6,7-dimethoxychromen-4-one
CID 122177820
2-[4-[4-(3-aminopropylamino)butyl-methylamino]phenyl]-3,7-dihydroxy-8-methoxychromen-4-one
CID 164861345
2-[4-[4-[(2,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-methylamino]butyl-methylamino]phenyl]-7-hydroxy-3,8-dimethoxychromen-4-one
CID 164861311
8-[4-[4-[ethyl-[(2-methoxyphenyl)methyl]amino]butyl]phenyl]-[1,3]dioxolo[4,5-h]chromen-6-one
CID 164861171
2,5-dichloro-3,6-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexylamino]cyclohexa-2,5-diene-1,4-dione
CID 23624875
methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane
CID 159616458
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
CID 102999106
2-[3-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propoxy]phenyl]-5-hydroxy-6,7-dimethoxychromen-4-one
CID 122177846
[2-[[16-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]hexadecyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate
CID 57129302
4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 117041340
2-(4-fluoro-3-methoxyphenyl)-3-methoxybenzo[h]chromen-4-one
CID 73349189

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one?
The IUPAC name of 2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one (CID 170778888) is 2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one.
What is the SMILES notation for 2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one?
The canonical SMILES for 2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one is CCN(CCCN(C)c1ccc(-c2oc3c(OC)c(CO)ccc3c(=O)c2OC)cc1)Cc1ccccc1OC.
What is the InChIKey of 2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one?
The InChIKey is FYYLEYCJNMQVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O6/c1-6-34(20-23-10-7-8-11-27(23)37-3)19-9-18-33(2)25-15-12-22(13-16-25)30-32(39-5)28(36)26-17-14-24(21-35)29(38-4)31(26)40-30/h7-8,10-17,35H,6,9,18-21H2,1-5H3.
What are the key properties of 2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one?
2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one has a molecular weight of 546.66 g/mol, XLogP of 5.33, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl-methylamino]phenyl]-7-(hydroxymethyl)-3,8-dimethoxychromen-4-one is sourced from PubChem (CID 170778888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).