(E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine

C21H20N4O — CID 89415255

IUPAC(E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine
SMILESCO/N=C1\CCCc2nc(-c3cccc(C)n3)nc(-c3ccccc3)c21
InChIInChI=1S/C21H20N4O/c1-14-8-6-13-18(22-14)21-23-16-11-7-12-17(25-26-2)19(16)20(24-21)15-9-4-3-5-10-15/h3-6,8-10,13H,7,11-12H2,1-2H3/b25-17+
InChIKeyKULYBSRQRRRURH-KOEQRZSOSA-N
MW344.42 g/mol
LogP4.20
Rot. Bonds3

About (E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine

(E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine (PubChem CID 89415255) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine.

Molecular Properties

Compound Name(E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine
PubChem CID89415255
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine
SMILESCO/N=C1\CCCc2nc(-c3cccc(C)n3)nc(-c3ccccc3)c21
InChIInChI=1S/C21H20N4O/c1-14-8-6-13-18(22-14)21-23-16-11-7-12-17(25-26-2)19(16)20(24-21)15-9-4-3-5-10-15/h3-6,8-10,13H,7,11-12H2,1-2H3/b25-17+
InChIKeyKULYBSRQRRRURH-KOEQRZSOSA-N
XLogP4.20
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
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'}

Analyze (E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine with MolForge

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Launch Full Analysis

Related Compounds

2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 71271326
4-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
CID 71276574
6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline
CID 71271580
4-(6-methoxy-3-pyridinyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 71276522
4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline
CID 71276578
4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 71276634
5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine
CID 66291892
8-methyl-2-(6-methyl-2-pyridinyl)-4-phenylquinazoline
CID 67701313
2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline
CID 71276597
2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 6426041
4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 71276600
2-methyl-6-(6-phenyl-2-pyridinyl)pyridine
CID 14698682

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine?
The IUPAC name of (E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine (CID 89415255) is (E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine.
What is the SMILES notation for (E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine?
The canonical SMILES for (E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine is CO/N=C1\CCCc2nc(-c3cccc(C)n3)nc(-c3ccccc3)c21.
What is the InChIKey of (E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine?
The InChIKey is KULYBSRQRRRURH-KOEQRZSOSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-8-6-13-18(22-14)21-23-16-11-7-12-17(25-26-2)19(16)20(24-21)15-9-4-3-5-10-15/h3-6,8-10,13H,7,11-12H2,1-2H3/b25-17+.
What are the key properties of (E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine?
(E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine has a molecular weight of 344.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-6H-quinazolin-5-imine is sourced from PubChem (CID 89415255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).