8-methyl-1,4-dihydroquinazoline-4-carbaldehyde

C10H10N2O — CID 174620383

IUPAC8-methyl-1,4-dihydroquinazoline-4-carbaldehyde
SMILESCc1cccc2c1NC=NC2C=O
InChIInChI=1S/C10H10N2O/c1-7-3-2-4-8-9(5-13)11-6-12-10(7)8/h2-6,9H,1H3,(H,11,12)
InChIKeyCERWOUMKXRJKJE-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.69
Rot. Bonds1

About 8-methyl-1,4-dihydroquinazoline-4-carbaldehyde

8-methyl-1,4-dihydroquinazoline-4-carbaldehyde (PubChem CID 174620383) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 8-methyl-1,4-dihydroquinazoline-4-carbaldehyde.

Molecular Properties

Compound Name8-methyl-1,4-dihydroquinazoline-4-carbaldehyde
PubChem CID174620383
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name8-methyl-1,4-dihydroquinazoline-4-carbaldehyde
SMILESCc1cccc2c1NC=NC2C=O
InChIInChI=1S/C10H10N2O/c1-7-3-2-4-8-9(5-13)11-6-12-10(7)8/h2-6,9H,1H3,(H,11,12)
InChIKeyCERWOUMKXRJKJE-UHFFFAOYSA-N
XLogP1.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 82276220
7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde
CID 174373903
7-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986370
1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid
CID 144560479
4-methyl-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde
CID 174460097
(7-methyl-2,3-dihydro-1H-indol-3-yl)methanol
CID 82277392
5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde
CID 105428926
1-(7-methyl-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 82277210
1,8-dimethyl-9H-fluorene-9-carbaldehyde
CID 174591685
3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole
CID 84664963
8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde
CID 83907482
8-methyl-1,2,3,4-tetrahydroquinolin-4-ol
CID 82275497

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-dihydroquinazoline-4-carbaldehyde?
The IUPAC name of 8-methyl-1,4-dihydroquinazoline-4-carbaldehyde (CID 174620383) is 8-methyl-1,4-dihydroquinazoline-4-carbaldehyde.
What is the SMILES notation for 8-methyl-1,4-dihydroquinazoline-4-carbaldehyde?
The canonical SMILES for 8-methyl-1,4-dihydroquinazoline-4-carbaldehyde is Cc1cccc2c1NC=NC2C=O.
What is the InChIKey of 8-methyl-1,4-dihydroquinazoline-4-carbaldehyde?
The InChIKey is CERWOUMKXRJKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-3-2-4-8-9(5-13)11-6-12-10(7)8/h2-6,9H,1H3,(H,11,12).
What are the key properties of 8-methyl-1,4-dihydroquinazoline-4-carbaldehyde?
8-methyl-1,4-dihydroquinazoline-4-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4-dihydroquinazoline-4-carbaldehyde is sourced from PubChem (CID 174620383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).