3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one

C27H32N4O4 — CID 55371972

IUPAC3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCOc1ccc(CN2CCN(C(=O)CCc3nc4ccccc4c(=O)n3C3CC3)CC2)cc1OC
InChIInChI=1S/C27H32N4O4/c1-34-23-10-7-19(17-24(23)35-2)18-29-13-15-30(16-14-29)26(32)12-11-25-28-22-6-4-3-5-21(22)27(33)31(25)20-8-9-20/h3-7,10,17,20H,8-9,11-16,18H2,1-2H3
InChIKeyGFQVBDIAAJQSIV-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.03
Rot. Bonds8

About 3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one

3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one (PubChem CID 55371972) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
PubChem CID55371972
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCOc1ccc(CN2CCN(C(=O)CCc3nc4ccccc4c(=O)n3C3CC3)CC2)cc1OC
InChIInChI=1S/C27H32N4O4/c1-34-23-10-7-19(17-24(23)35-2)18-29-13-15-30(16-14-29)26(32)12-11-25-28-22-6-4-3-5-21(22)27(33)31(25)20-8-9-20/h3-7,10,17,20H,8-9,11-16,18H2,1-2H3
InChIKeyGFQVBDIAAJQSIV-UHFFFAOYSA-N
XLogP3.03
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one with MolForge

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Related Compounds

2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447006
3-cyclopropyl-2-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 55360286
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(4-ethylphenyl)propan-1-one
CID 55372151
(5-chloro-2-methoxyphenyl)methyl 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43015446
(2-methoxy-2-oxoethyl) 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43050906
methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580760
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one
CID 39035249
methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate
CID 43025388
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 8979950
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742523

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one (CID 55371972) is 3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one is COc1ccc(CN2CCN(C(=O)CCc3nc4ccccc4c(=O)n3C3CC3)CC2)cc1OC.
What is the InChIKey of 3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
The InChIKey is GFQVBDIAAJQSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-34-23-10-7-19(17-24(23)35-2)18-29-13-15-30(16-14-29)26(32)12-11-25-28-22-6-4-3-5-21(22)27(33)31(25)20-8-9-20/h3-7,10,17,20H,8-9,11-16,18H2,1-2H3.
What are the key properties of 3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one has a molecular weight of 476.58 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 55371972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).