2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one

C16H20N2O4 — CID 144595649

IUPAC2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(N)oc2c1C1CCN(C)C1
InChIInChI=1S/C16H20N2O4/c1-18-5-4-9(8-18)14-11(20-2)7-12(21-3)15-10(19)6-13(17)22-16(14)15/h6-7,9H,4-5,8,17H2,1-3H3
InChIKeySRQSYVQUSAUXSF-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.81
Rot. Bonds3

About 2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one

2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one (PubChem CID 144595649) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one.

Molecular Properties

Compound Name2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one
PubChem CID144595649
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(N)oc2c1C1CCN(C)C1
InChIInChI=1S/C16H20N2O4/c1-18-5-4-9(8-18)14-11(20-2)7-12(21-3)15-10(19)6-13(17)22-16(14)15/h6-7,9H,4-5,8,17H2,1-3H3
InChIKeySRQSYVQUSAUXSF-UHFFFAOYSA-N
XLogP1.81
TPSA77.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-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

8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-5,7-dimethoxy-2-sulfanylchromen-4-one
CID 10594085
1-[2-hydroxy-4,6-dimethoxy-3-[(3S)-1-methylpyrrolidin-3-yl]phenyl]ethanone
CID 148573605
1-[2-hydroxy-4,6-dimethoxy-3-(1-methylpyrrolidin-3-yl)phenyl]ethanone;methyl acetate
CID 144686827
2-(4-amino-2-bromophenyl)-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5,7-dimethoxychromen-4-one
CID 66933619
2-amino-5-methoxychromen-4-one
CID 134860119
5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one
CID 12730612
2-(2-chloro-4-methoxyphenyl)-8-[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5,7-dimethoxychromen-4-one
CID 10027262
2-(2-chloro-3-methylphenyl)-8-[(2S,3R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5,7-dimethoxychromen-4-one
CID 67397765
2-aminopentanedioic acid;2-(2-chlorophenyl)-8-[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5,7-dimethoxychromen-4-one
CID 68516793
8-[2-(azidomethyl)-1-methylpyrrolidin-3-yl]-2-(2-chlorophenyl)-5,7-dimethoxychromen-4-one
CID 10411673
2-[2-chloro-4-(trifluoromethyl)phenyl]-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5,7-dimethoxychromen-4-one
CID 68516829
2-(2-chlorophenyl)-8-[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5,7-dimethoxychromen-4-one;2,3-dihydroxybutanedioic acid
CID 68513478

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one?
The IUPAC name of 2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one (CID 144595649) is 2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one.
What is the SMILES notation for 2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one?
The canonical SMILES for 2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one is COc1cc(OC)c2c(=O)cc(N)oc2c1C1CCN(C)C1.
What is the InChIKey of 2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one?
The InChIKey is SRQSYVQUSAUXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-18-5-4-9(8-18)14-11(20-2)7-12(21-3)15-10(19)6-13(17)22-16(14)15/h6-7,9H,4-5,8,17H2,1-3H3.
What are the key properties of 2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one?
2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one has a molecular weight of 304.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,7-dimethoxy-8-(1-methylpyrrolidin-3-yl)chromen-4-one is sourced from PubChem (CID 144595649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).