3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one

C17H15N5O — CID 4859633

IUPAC3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
SMILESCc1ccc(C2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1
InChIInChI=1S/C17H15N5O/c1-10-6-8-11(9-7-10)14-19-16(18)21-17-20-15(23)12-4-2-3-5-13(12)22(14)17/h2-9,14H,1H3,(H3,18,19,20,21,23)
InChIKeyBZOFNDDXXUWKIW-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.99
Rot. Bonds1

About 3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one

3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one (PubChem CID 4859633) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one.

Molecular Properties

Compound Name3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
PubChem CID4859633
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
SMILESCc1ccc(C2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1
InChIInChI=1S/C17H15N5O/c1-10-6-8-11(9-7-10)14-19-16(18)21-17-20-15(23)12-4-2-3-5-13(12)22(14)17/h2-9,14H,1H3,(H3,18,19,20,21,23)
InChIKeyBZOFNDDXXUWKIW-UHFFFAOYSA-N
XLogP1.99
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one with MolForge

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Related Compounds

Methaqualone
CID 6292
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
Glycorine
CID 18992
3-phenyl-3H-quinazolin-4-one
CID 785275
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
Arborine
CID 63123
1-(4-(Aminomethyl)benzoyl)-5'-fluoro-1'H-spiro(piperidine-4,2'-quinazolin)-4'-amine
CID 24894149
2-(propylamino)-4(3H)-quinazolinone
CID 135439661
2-(4-Methylphenyl)quinazolin-4(3H)-one
CID 135452109
4(3H)-Quinazolinone, 3-(phenylmethyl)-
CID 616746

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
The IUPAC name of 3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one (CID 4859633) is 3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one.
What is the SMILES notation for 3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
The canonical SMILES for 3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one is Cc1ccc(C2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1.
What is the InChIKey of 3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
The InChIKey is BZOFNDDXXUWKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-10-6-8-11(9-7-10)14-19-16(18)21-17-20-15(23)12-4-2-3-5-13(12)22(14)17/h2-9,14H,1H3,(H3,18,19,20,21,23).
What are the key properties of 3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one has a molecular weight of 305.34 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one is sourced from PubChem (CID 4859633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).