7-methoxy-2-methylquinazoline-4-carbaldehyde

C11H10N2O2 — CID 105454201

IUPAC7-methoxy-2-methylquinazoline-4-carbaldehyde
SMILESCOc1ccc2c(C=O)nc(C)nc2c1
InChIInChI=1S/C11H10N2O2/c1-7-12-10-5-8(15-2)3-4-9(10)11(6-14)13-7/h3-6H,1-2H3
InChIKeyBYURLQSQMCKBTR-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.76
Rot. Bonds2

About 7-methoxy-2-methylquinazoline-4-carbaldehyde

7-methoxy-2-methylquinazoline-4-carbaldehyde (PubChem CID 105454201) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 7-methoxy-2-methylquinazoline-4-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-2-methylquinazoline-4-carbaldehyde
PubChem CID105454201
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name7-methoxy-2-methylquinazoline-4-carbaldehyde
SMILESCOc1ccc2c(C=O)nc(C)nc2c1
InChIInChI=1S/C11H10N2O2/c1-7-12-10-5-8(15-2)3-4-9(10)11(6-14)13-7/h3-6H,1-2H3
InChIKeyBYURLQSQMCKBTR-UHFFFAOYSA-N
XLogP1.76
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxyquinazoline-4-carbaldehyde
CID 105442986
7-methoxy-4-methylquinolin-2-amine
CID 53485904
2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde
CID 84628269
4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde
CID 174859471
1-(7-methoxy-2-methylquinazolin-4-yl)cyclopropan-1-amine
CID 105486873
7-methoxy-N,4-dimethylquinolin-2-amine
CID 84619850
7-methoxy-4-methylquinoline-2-carbonitrile
CID 82573251
4-bromo-7-methoxy-2-methylquinoline
CID 11550580
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
6-methoxy-2-methylquinazoline
CID 54578216
2-(3,5-dimethylphenyl)-7-methoxy-4-methylquinoline
CID 58871373
2-hexa-2,4-dien-3-yl-7-methoxy-4-methylquinoline
CID 90740649

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methylquinazoline-4-carbaldehyde?
The IUPAC name of 7-methoxy-2-methylquinazoline-4-carbaldehyde (CID 105454201) is 7-methoxy-2-methylquinazoline-4-carbaldehyde.
What is the SMILES notation for 7-methoxy-2-methylquinazoline-4-carbaldehyde?
The canonical SMILES for 7-methoxy-2-methylquinazoline-4-carbaldehyde is COc1ccc2c(C=O)nc(C)nc2c1.
What is the InChIKey of 7-methoxy-2-methylquinazoline-4-carbaldehyde?
The InChIKey is BYURLQSQMCKBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-12-10-5-8(15-2)3-4-9(10)11(6-14)13-7/h3-6H,1-2H3.
What are the key properties of 7-methoxy-2-methylquinazoline-4-carbaldehyde?
7-methoxy-2-methylquinazoline-4-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methylquinazoline-4-carbaldehyde is sourced from PubChem (CID 105454201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).