5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one

C24H28N4O6 — CID 135454934

IUPAC5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one
SMILESCOc1cc2nc(N(C)Cc3cccc(N4CCC(OC)C4=O)c3)[nH]c(=O)c2c(OC)c1OC
InChIInChI=1S/C24H28N4O6/c1-27(13-14-7-6-8-15(11-14)28-10-9-17(31-2)23(28)30)24-25-16-12-18(32-3)20(33-4)21(34-5)19(16)22(29)26-24/h6-8,11-12,17H,9-10,13H2,1-5H3,(H,25,26,29)
InChIKeyOXADRFONHWALBN-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.34
Rot. Bonds8

About 5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one

5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one (PubChem CID 135454934) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is 5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one
PubChem CID135454934
Molecular FormulaC24H28N4O6
Molecular Weight468.51 g/mol
Exact Mass468.20
IUPAC Name5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one
SMILESCOc1cc2nc(N(C)Cc3cccc(N4CCC(OC)C4=O)c3)[nH]c(=O)c2c(OC)c1OC
InChIInChI=1S/C24H28N4O6/c1-27(13-14-7-6-8-15(11-14)28-10-9-17(31-2)23(28)30)24-25-16-12-18(32-3)20(33-4)21(34-5)19(16)22(29)26-24/h6-8,11-12,17H,9-10,13H2,1-5H3,(H,25,26,29)
InChIKeyOXADRFONHWALBN-UHFFFAOYSA-N
XLogP2.34
TPSA106.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one
CID 136622099
5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one
CID 136601197
2-[[3-[1-(dimethylamino)ethyl]phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one
CID 135507489
2-[[3-(2-iminobutyl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one
CID 174505120
6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one
CID 135421252
2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one
CID 136743156
6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267481
1-[3-[[(2-bromo-3,4,5-trimethoxybenzoyl)-methylamino]methyl]phenyl]piperidine-4-carboxylic acid
CID 110495379
3-bromo-1-(3-ethylphenyl)pyrrolidin-2-one
CID 63789981
1-(4-bromophenyl)-3-methoxypyrrolidin-2-one
CID 138567201
4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 90455170
3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135907866

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one?
The IUPAC name of 5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one (CID 135454934) is 5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one is COc1cc2nc(N(C)Cc3cccc(N4CCC(OC)C4=O)c3)[nH]c(=O)c2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one?
The InChIKey is OXADRFONHWALBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6/c1-27(13-14-7-6-8-15(11-14)28-10-9-17(31-2)23(28)30)24-25-16-12-18(32-3)20(33-4)21(34-5)19(16)22(29)26-24/h6-8,11-12,17H,9-10,13H2,1-5H3,(H,25,26,29).
What are the key properties of 5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one?
5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one has a molecular weight of 468.51 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 135454934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).