1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine

C16H19N5O — CID 135485467

IUPAC1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine
SMILESCc1cccc(N/C(N)=N/c2nc3c(c(=O)[nH]2)CCCC3)c1
InChIInChI=1S/C16H19N5O/c1-10-5-4-6-11(9-10)18-15(17)21-16-19-13-8-3-2-7-12(13)14(22)20-16/h4-6,9H,2-3,7-8H2,1H3,(H4,17,18,19,20,21,22)
InChIKeyUEFCYPAHBXDIQQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.02
Rot. Bonds2

About 1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine

1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine (PubChem CID 135485467) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine
PubChem CID135485467
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine
SMILESCc1cccc(N/C(N)=N/c2nc3c(c(=O)[nH]2)CCCC3)c1
InChIInChI=1S/C16H19N5O/c1-10-5-4-6-11(9-10)18-15(17)21-16-19-13-8-3-2-7-12(13)14(22)20-16/h4-6,9H,2-3,7-8H2,1H3,(H4,17,18,19,20,21,22)
InChIKeyUEFCYPAHBXDIQQ-UHFFFAOYSA-N
XLogP2.02
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylanilino)-4(3H)-quinazolinone
CID 135439662
2-(3,5-dimethylanilino)-4(3H)-quinazolinone
CID 135439663
6-methyl-2-[(2-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135454332
1-[3-[(2-Amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]butan-1-one
CID 118464426
3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]-N-ethylbenzamide
CID 118464427
2-Anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137010091
1-[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone
CID 16073788
2-(Phenylamino)-4(3H)-quinazolinone
CID 135456660
6-Methyl-2-(3-(trifluoromethyl)anilino)-4-pyrimidinol
CID 135431193
3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzamide
CID 16073785
5-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 135400037
6-methyl-5-(3-methylbutyl)-2-[(4-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135462206

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine?
The IUPAC name of 1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine (CID 135485467) is 1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine.
What is the SMILES notation for 1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine?
The canonical SMILES for 1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine is Cc1cccc(N/C(N)=N/c2nc3c(c(=O)[nH]2)CCCC3)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine?
The InChIKey is UEFCYPAHBXDIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10-5-4-6-11(9-10)18-15(17)21-16-19-13-8-3-2-7-12(13)14(22)20-16/h4-6,9H,2-3,7-8H2,1H3,(H4,17,18,19,20,21,22).
What are the key properties of 1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine?
1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine has a molecular weight of 297.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine is sourced from PubChem (CID 135485467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).