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

C16H17FN4O — CID 174611924

IUPAC7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCON=CC1CC(c2ccc(F)cc2)Cc2nc(N)ncc21
InChIInChI=1S/C16H17FN4O/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)
InChIKeyZICUFSCZDVQVKU-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.64
Rot. Bonds3

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

7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 174611924) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID174611924
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCON=CC1CC(c2ccc(F)cc2)Cc2nc(N)ncc21
InChIInChI=1S/C16H17FN4O/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)
InChIKeyZICUFSCZDVQVKU-UHFFFAOYSA-N
XLogP2.64
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.64
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-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174596613
7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174611916
N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine
CID 174596625
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-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67239176
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
(7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 7342552
(7R)-2-amino-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424852
(7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41286955
N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
CID 74425280

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 174611924) is 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is CON=CC1CC(c2ccc(F)cc2)Cc2nc(N)ncc21.
What is the InChIKey of 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is ZICUFSCZDVQVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/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-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 300.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 174611924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).