3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one

C24H28N4O4 — CID 39035249

IUPAC3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one
SMILESCOc1cc2ncn(CCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC
InChIInChI=1S/C24H28N4O4/c1-31-21-14-19-20(15-22(21)32-2)25-17-28(24(19)30)9-8-23(29)27-12-10-26(11-13-27)16-18-6-4-3-5-7-18/h3-7,14-15,17H,8-13,16H2,1-2H3
InChIKeyWXYUTSQZAJRKPV-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.15
Rot. Bonds7

About 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one

3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one (PubChem CID 39035249) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one
PubChem CID39035249
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one
SMILESCOc1cc2ncn(CCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC
InChIInChI=1S/C24H28N4O4/c1-31-21-14-19-20(15-22(21)32-2)25-17-28(24(19)30)9-8-23(29)27-12-10-26(11-13-27)16-18-6-4-3-5-7-18/h3-7,14-15,17H,8-13,16H2,1-2H3
InChIKeyWXYUTSQZAJRKPV-UHFFFAOYSA-N
XLogP2.15
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 45495446
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55522180
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 55455013
6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one
CID 51720774
6,7-dimethoxy-3-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]quinazolin-4-one
CID 45494783
3-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]-4-oxobutyl]-6,7-dimethoxyquinazolin-4-one
CID 55587076
N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide
CID 39338198
6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one
CID 55573970
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 46520770
3-[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxobutyl]-6,7-dimethoxyquinazolin-4-one
CID 55454448
2-[4-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55455609
3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one
CID 39309980

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one?
The IUPAC name of 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one (CID 39035249) is 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one.
What is the SMILES notation for 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one?
The canonical SMILES for 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one is COc1cc2ncn(CCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC.
What is the InChIKey of 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one?
The InChIKey is WXYUTSQZAJRKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-31-21-14-19-20(15-22(21)32-2)25-17-28(24(19)30)9-8-23(29)27-12-10-26(11-13-27)16-18-6-4-3-5-7-18/h3-7,14-15,17H,8-13,16H2,1-2H3.
What are the key properties of 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one?
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one has a molecular weight of 436.51 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one is sourced from PubChem (CID 39035249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).