6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one

C26H30N4O4 — CID 45495446

IUPAC6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one
SMILESCOc1cc2ncn(CCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)c2cc1OC
InChIInChI=1S/C26H30N4O4/c1-33-23-17-21-22(18-24(23)34-2)27-19-30(26(21)32)12-10-25(31)29-15-13-28(14-16-29)11-6-9-20-7-4-3-5-8-20/h3-9,17-19H,10-16H2,1-2H3/b9-6+
InChIKeyFCGPYUVKYTXWEC-RMKNXTFCSA-N
MW462.55 g/mol
LogP2.66
Rot. Bonds8

About 6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one

6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one (PubChem CID 45495446) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one
PubChem CID45495446
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one
SMILESCOc1cc2ncn(CCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)c2cc1OC
InChIInChI=1S/C26H30N4O4/c1-33-23-17-21-22(18-24(23)34-2)27-19-30(26(21)32)12-10-25(31)29-15-13-28(14-16-29)11-6-9-20-7-4-3-5-8-20/h3-9,17-19H,10-16H2,1-2H3/b9-6+
InChIKeyFCGPYUVKYTXWEC-RMKNXTFCSA-N
XLogP2.66
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one with MolForge

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Related Compounds

3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one
CID 39035249
6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
CID 29148303
3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one
CID 71704392
6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one
CID 51720774
6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one
CID 55573970
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55522180
3-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]-4-oxobutyl]-6,7-dimethoxyquinazolin-4-one
CID 55587076
2-(3,4-dimethoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 6025296
3-(2,3-dimethoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 9118704
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2-diphenylethyl)butanamide
CID 46461895
3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 55542864
2-[4-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55455609

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one (CID 45495446) is 6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one is COc1cc2ncn(CCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one?
The InChIKey is FCGPYUVKYTXWEC-RMKNXTFCSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-33-23-17-21-22(18-24(23)34-2)27-19-30(26(21)32)12-10-25(31)29-15-13-28(14-16-29)11-6-9-20-7-4-3-5-8-20/h3-9,17-19H,10-16H2,1-2H3/b9-6+.
What are the key properties of 6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one?
6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one has a molecular weight of 462.55 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 45495446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).