7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine

C14H14N4 — CID 175306959

IUPAC7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine
SMILES[H]/N=C1\c2ccc(C)cc2NCN1c1cccnc1
InChIInChI=1S/C14H14N4/c1-10-4-5-12-13(7-10)17-9-18(14(12)15)11-3-2-6-16-8-11/h2-8,15,17H,9H2,1H3/b15-14+
InChIKeyBDBKCCCDLQBUCK-CCEZHUSRSA-N
MW238.29 g/mol
LogP2.60
Rot. Bonds1

About 7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine

7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine (PubChem CID 175306959) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine.

Molecular Properties

Compound Name7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine
PubChem CID175306959
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine
SMILES[H]/N=C1\c2ccc(C)cc2NCN1c1cccnc1
InChIInChI=1S/C14H14N4/c1-10-4-5-12-13(7-10)17-9-18(14(12)15)11-3-2-6-16-8-11/h2-8,15,17H,9H2,1H3/b15-14+
InChIKeyBDBKCCCDLQBUCK-CCEZHUSRSA-N
XLogP2.60
TPSA52.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
3-hydroxy-1,2-dihydroquinazolin-4-imine
CID 137303752
(1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 141312605
3-methyl-1-pyridin-3-yl-2H-imidazo[4,5-b]pyridine
CID 143141740
1-ethylaziridin-2-one;3-methylpyridine
CID 161215351
ethane;3-methylpyridine;hydroiodide
CID 143140941
3-(2-tert-butyl-4-methylphenyl)pyridine
CID 130318628
(5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154792520
1-(3-methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione
CID 7460748
1-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-imine
CID 155664688
1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylimidazolidin-2-one
CID 163559526

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine?
The IUPAC name of 7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine (CID 175306959) is 7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine.
What is the SMILES notation for 7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine?
The canonical SMILES for 7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine is [H]/N=C1\c2ccc(C)cc2NCN1c1cccnc1.
What is the InChIKey of 7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine?
The InChIKey is BDBKCCCDLQBUCK-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-4-5-12-13(7-10)17-9-18(14(12)15)11-3-2-6-16-8-11/h2-8,15,17H,9H2,1H3/b15-14+.
What are the key properties of 7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine?
7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine has a molecular weight of 238.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-pyridin-3-yl-1,2-dihydroquinazolin-4-imine is sourced from PubChem (CID 175306959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).