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

C17H19FN4O — CID 174611916

IUPAC7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCON=CC1CC(c2ccc(F)cc2)Cc2nc(N)nc(C)c21
InChIInChI=1S/C17H19FN4O/c1-10-16-13(9-20-23-2)7-12(8-15(16)22-17(19)21-10)11-3-5-14(18)6-4-11/h3-6,9,12-13H,7-8H2,1-2H3,(H2,19,21,22)
InChIKeySTQDELZSSIEULB-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.95
Rot. Bonds3

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

7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 174611916) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID174611916
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCON=CC1CC(c2ccc(F)cc2)Cc2nc(N)nc(C)c21
InChIInChI=1S/C17H19FN4O/c1-10-16-13(9-20-23-2)7-12(8-15(16)22-17(19)21-10)11-3-5-14(18)6-4-11/h3-6,9,12-13H,7-8H2,1-2H3,(H2,19,21,22)
InChIKeySTQDELZSSIEULB-UHFFFAOYSA-N
XLogP2.95
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.95
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-(2-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174596627
7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174611924
7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174596613
(7R)-2-amino-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424852
2-amino-7-[2-(1H-indol-7-yl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-5-carbaldehyde
CID 174611941
N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine
CID 174596625
(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 25167617
(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87290823
(NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87291180
(5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 25167747
(5E)-7-[4-fluoro-2-(2-fluoro-3-pyridinyl)phenyl]-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;(5E,7R)-7-[4-fluoro-2-(2-fluoro-3-pyridinyl)phenyl]-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;(5E,7S)-7-[4-fluoro-2-(2-fluoro-3-pyridinyl)phenyl]-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 172944541
2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 11948703

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 174611916) is 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine is CON=CC1CC(c2ccc(F)cc2)Cc2nc(N)nc(C)c21.
What is the InChIKey of 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is STQDELZSSIEULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-10-16-13(9-20-23-2)7-12(8-15(16)22-17(19)21-10)11-3-5-14(18)6-4-11/h3-6,9,12-13H,7-8H2,1-2H3,(H2,19,21,22).
What are the key properties of 7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
7-(4-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 314.36 g/mol, XLogP of 2.95, 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)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 174611916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).