(8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone

C21H22N2O4 — CID 102052820

IUPAC(8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone
SMILESCOc1c(O)c(C)c2c(C(=O)c3ccccc3)c3n(c2c1OC)CCCN3
InChIInChI=1S/C21H22N2O4/c1-12-14-15(18(25)13-8-5-4-6-9-13)21-22-10-7-11-23(21)16(14)19(26-2)20(27-3)17(12)24/h4-6,8-9,22,24H,7,10-11H2,1-3H3
InChIKeyMHNDZWLVSCDYQI-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.72
Rot. Bonds4

About (8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone

(8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone (PubChem CID 102052820) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone.

Molecular Properties

Compound Name(8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone
PubChem CID102052820
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone
SMILESCOc1c(O)c(C)c2c(C(=O)c3ccccc3)c3n(c2c1OC)CCCN3
InChIInChI=1S/C21H22N2O4/c1-12-14-15(18(25)13-8-5-4-6-9-13)21-22-10-7-11-23(21)16(14)19(26-2)20(27-3)17(12)24/h4-6,8-9,22,24H,7,10-11H2,1-3H3
InChIKeyMHNDZWLVSCDYQI-UHFFFAOYSA-N
XLogP3.72
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone?
The IUPAC name of (8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone (CID 102052820) is (8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone.
What is the SMILES notation for (8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone?
The canonical SMILES for (8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone is COc1c(O)c(C)c2c(C(=O)c3ccccc3)c3n(c2c1OC)CCCN3.
What is the InChIKey of (8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone?
The InChIKey is MHNDZWLVSCDYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-12-14-15(18(25)13-8-5-4-6-9-13)21-22-10-7-11-23(21)16(14)19(26-2)20(27-3)17(12)24/h4-6,8-9,22,24H,7,10-11H2,1-3H3.
What are the key properties of (8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone?
(8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone has a molecular weight of 366.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxy-6,7-dimethoxy-9-methyl-1,2,3,4-tetrahydropyrimido[1,2-a]indol-10-yl)-phenylmethanone is sourced from PubChem (CID 102052820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).