7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C16H17ClN4O — CID 174596613

IUPAC7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCON=CC1CC(c2ccc(Cl)cc2)Cc2nc(N)ncc21
InChIInChI=1S/C16H17ClN4O/c1-22-20-8-12-6-11(10-2-4-13(17)5-3-10)7-15-14(12)9-19-16(18)21-15/h2-5,8-9,11-12H,6-7H2,1H3,(H2,18,19,21)
InChIKeyJSUPWDUXERLZIW-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.16
Rot. Bonds3

About 7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 174596613) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID174596613
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCON=CC1CC(c2ccc(Cl)cc2)Cc2nc(N)ncc21
InChIInChI=1S/C16H17ClN4O/c1-22-20-8-12-6-11(10-2-4-13(17)5-3-10)7-15-14(12)9-19-16(18)21-15/h2-5,8-9,11-12H,6-7H2,1H3,(H2,18,19,21)
InChIKeyJSUPWDUXERLZIW-UHFFFAOYSA-N
XLogP3.16
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174611924
N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine
CID 174596625
7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174611916
7-(2-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174596627
N-[[2-amino-7-(2-pyridin-4-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine
CID 174596727
2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 11948703
N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine
CID 174707618
N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87290990
(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 25167617
N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 831476
N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
CID 74425280
(7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 97183729

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 174596613) is 7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is CON=CC1CC(c2ccc(Cl)cc2)Cc2nc(N)ncc21.
What is the InChIKey of 7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is JSUPWDUXERLZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-22-20-8-12-6-11(10-2-4-13(17)5-3-10)7-15-14(12)9-19-16(18)21-15/h2-5,8-9,11-12H,6-7H2,1H3,(H2,18,19,21).
What are the key properties of 7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 316.79 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 174596613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).