4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide

C19H17N5O2 — CID 135855764

IUPAC4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide
SMILESC#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H17N5O2/c1-2-9-24(14-6-4-13(5-7-14)17(20)25)11-12-3-8-16-15(10-12)18(26)23-19(21)22-16/h1,3-8,10H,9,11H2,(H2,20,25)(H3,21,22,23,26)
InChIKeyWONLVRBYHCSGMY-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.24
Rot. Bonds5

About 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide

4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide (PubChem CID 135855764) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide.

Molecular Properties

Compound Name4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide
PubChem CID135855764
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide
SMILESC#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H17N5O2/c1-2-9-24(14-6-4-13(5-7-14)17(20)25)11-12-3-8-16-15(10-12)18(26)23-19(21)22-16/h1,3-8,10H,9,11H2,(H2,20,25)(H3,21,22,23,26)
InChIKeyWONLVRBYHCSGMY-UHFFFAOYSA-N
XLogP1.24
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide with MolForge

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Related Compounds

CB 3717
CID 135402053
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid
CID 135456000
3-(2-Amino-6-benzoylquinazolin-3(4H)-YL)-N-cyclohexyl-N-methylpropanamide
CID 16741238
10-Propargyl-5,8-dideazafolic acid
CID 135438608
2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}quinazolin-4(3H)-one
CID 135446758
2-(3,5-dimethylanilino)-4(3H)-quinazolinone
CID 135439663
2-amino-6-methylquinazolin-4(3H)-one
CID 135474899
N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 975079
3-amino-1-(4-methylphenyl)-1H-[1,3,5]triazino[1,2-a]quinazolin-6-ol
CID 4859633
N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4908980
2-((3-bromo-6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzamide
CID 1914890

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide?
The IUPAC name of 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide (CID 135855764) is 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide.
What is the SMILES notation for 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide?
The canonical SMILES for 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide is C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide?
The InChIKey is WONLVRBYHCSGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-2-9-24(14-6-4-13(5-7-14)17(20)25)11-12-3-8-16-15(10-12)18(26)23-19(21)22-16/h1,3-8,10H,9,11H2,(H2,20,25)(H3,21,22,23,26).
What are the key properties of 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide?
4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide has a molecular weight of 347.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide is sourced from PubChem (CID 135855764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).