3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide

C19H26N4O3 — CID 119824520

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C1CCNCC1
InChIInChI=1S/C19H26N4O3/c1-2-12-22(14-7-10-20-11-8-14)17(24)9-13-23-16-6-4-3-5-15(16)18(25)21-19(23)26/h3-6,14,20H,2,7-13H2,1H3,(H,21,25,26)
InChIKeyGCWGKSBECVEVBV-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.07
Rot. Bonds6

About 3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide

3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide (PubChem CID 119824520) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide
PubChem CID119824520
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C1CCNCC1
InChIInChI=1S/C19H26N4O3/c1-2-12-22(14-7-10-20-11-8-14)17(24)9-13-23-16-6-4-3-5-15(16)18(25)21-19(23)26/h3-6,14,20H,2,7-13H2,1H3,(H,21,25,26)
InChIKeyGCWGKSBECVEVBV-UHFFFAOYSA-N
XLogP1.07
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613645
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824718
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 86925489
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 34441928
3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 126772645
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530272
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532014
ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate
CID 19087677
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512038

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide (CID 119824520) is 3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide is CCCN(C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C1CCNCC1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
The InChIKey is GCWGKSBECVEVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-12-22(14-7-10-20-11-8-14)17(24)9-13-23-16-6-4-3-5-15(16)18(25)21-19(23)26/h3-6,14,20H,2,7-13H2,1H3,(H,21,25,26).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide has a molecular weight of 358.44 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide is sourced from PubChem (CID 119824520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).