3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide

C24H29N5O3 — CID 55694795

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCC(CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29N5O3/c1-18(27-13-15-28(16-14-27)19-7-3-2-4-8-19)17-25-22(30)11-12-29-21-10-6-5-9-20(21)23(31)26-24(29)32/h2-10,18H,11-17H2,1H3,(H,25,30)(H,26,31,32)
InChIKeyZFZJVFHONKGACN-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.41
Rot. Bonds7

About 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide (PubChem CID 55694795) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
PubChem CID55694795
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCC(CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29N5O3/c1-18(27-13-15-28(16-14-27)19-7-3-2-4-8-19)17-25-22(30)11-12-29-21-10-6-5-9-20(21)23(31)26-24(29)32/h2-10,18H,11-17H2,1H3,(H,25,30)(H,26,31,32)
InChIKeyZFZJVFHONKGACN-UHFFFAOYSA-N
XLogP1.41
TPSA90.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 51274736
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 24544090
1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 25398527
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 55454336
3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide
CID 46662175
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55695053
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
2-[4-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 166196801

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide (CID 55694795) is 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide is CC(CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide?
The InChIKey is ZFZJVFHONKGACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-18(27-13-15-28(16-14-27)19-7-3-2-4-8-19)17-25-22(30)11-12-29-21-10-6-5-9-20(21)23(31)26-24(29)32/h2-10,18H,11-17H2,1H3,(H,25,30)(H,26,31,32).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide has a molecular weight of 435.53 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 55694795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).