3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide

C14H13N3O2 — CID 135687166

IUPAC3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H13N3O2/c1-2-9-15-13(18)8-7-12-16-11-6-4-3-5-10(11)14(19)17-12/h1,3-6H,7-9H2,(H,15,18)(H,16,17,19)
InChIKeyJBSKAVDCHNEQPU-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.61
Rot. Bonds4

About 3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide

3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide (PubChem CID 135687166) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
PubChem CID135687166
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H13N3O2/c1-2-9-15-13(18)8-7-12-16-11-6-4-3-5-10(11)14(19)17-12/h1,3-6H,7-9H2,(H,15,18)(H,16,17,19)
InChIKeyJBSKAVDCHNEQPU-UHFFFAOYSA-N
XLogP0.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
CID 137300676
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637114
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637123
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135939335
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135522437
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide?
The IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide (CID 135687166) is 3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide?
The canonical SMILES for 3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide is C#CCNC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide?
The InChIKey is JBSKAVDCHNEQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-9-15-13(18)8-7-12-16-11-6-4-3-5-10(11)14(19)17-12/h1,3-6H,7-9H2,(H,15,18)(H,16,17,19).
What are the key properties of 3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide?
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide has a molecular weight of 255.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 135687166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).