2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide

C24H33N5O3 — CID 55447006

IUPAC2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CCc2nc3ccccc3c(=O)n2C2CC2)CC1
InChIInChI=1S/C24H33N5O3/c1-3-27(4-2)23(31)17-26-13-15-28(16-14-26)22(30)12-11-21-25-20-8-6-5-7-19(20)24(32)29(21)18-9-10-18/h5-8,18H,3-4,9-17H2,1-2H3
InChIKeyCJRUYSOCSNWYJU-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.68
Rot. Bonds8

About 2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 55447006) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID55447006
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CCc2nc3ccccc3c(=O)n2C2CC2)CC1
InChIInChI=1S/C24H33N5O3/c1-3-27(4-2)23(31)17-26-13-15-28(16-14-26)22(30)12-11-21-25-20-8-6-5-7-19(20)24(32)29(21)18-9-10-18/h5-8,18H,3-4,9-17H2,1-2H3
InChIKeyCJRUYSOCSNWYJU-UHFFFAOYSA-N
XLogP1.68
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide with MolForge

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Related Compounds

3-cyclopropyl-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 55371972
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
3-cyclopropyl-2-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 55360286
methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580760
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 55360025
N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide
CID 55632337
(2-methoxy-2-oxoethyl) 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43050906
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1071921
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256
N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide
CID 55930625
N,N-diethyl-2-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55634289
1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55961178

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide (CID 55447006) is 2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(C(=O)CCc2nc3ccccc3c(=O)n2C2CC2)CC1.
What is the InChIKey of 2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is CJRUYSOCSNWYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-3-27(4-2)23(31)17-26-13-15-28(16-14-26)22(30)12-11-21-25-20-8-6-5-7-19(20)24(32)29(21)18-9-10-18/h5-8,18H,3-4,9-17H2,1-2H3.
What are the key properties of 2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 439.56 g/mol, XLogP of 1.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55447006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).