4-methoxy-7-methylquinazoline-2-carbaldehyde

C11H10N2O2 — CID 84776726

IUPAC4-methoxy-7-methylquinazoline-2-carbaldehyde
SMILESCOc1nc(C=O)nc2cc(C)ccc12
InChIInChI=1S/C11H10N2O2/c1-7-3-4-8-9(5-7)12-10(6-14)13-11(8)15-2/h3-6H,1-2H3
InChIKeyOHMQTMDJZHAZJI-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.76
Rot. Bonds2

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

4-methoxy-7-methylquinazoline-2-carbaldehyde (PubChem CID 84776726) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-methoxy-7-methylquinazoline-2-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-7-methylquinazoline-2-carbaldehyde
PubChem CID84776726
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-methoxy-7-methylquinazoline-2-carbaldehyde
SMILESCOc1nc(C=O)nc2cc(C)ccc12
InChIInChI=1S/C11H10N2O2/c1-7-3-4-8-9(5-7)12-10(6-14)13-11(8)15-2/h3-6H,1-2H3
InChIKeyOHMQTMDJZHAZJI-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

6-hydroxy-4-methoxyquinazoline-2-carbaldehyde
CID 84777721
8-chloro-4-methoxyquinazoline-2-carbaldehyde
CID 84788775
2,4-dimethoxy-7-methylquinoline
CID 70166740
2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde
CID 83068040
4-methoxy-2-methylquinazoline-7-carboxamide
CID 169087321
7-methoxy-2-methylquinazoline-4-carbaldehyde
CID 105454201
2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid
CID 84795271
4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde
CID 174859471
2-iodyl-4-methylbenzaldehyde
CID 172555476
9-tert-butyl-3,6-dimethylacridine
CID 159242363
methyl 2-amino-7-methylquinoline-4-carboxylate
CID 84622204
(3-methoxy-6-methylquinoxalin-2-yl)carbamic acid
CID 91217663

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methylquinazoline-2-carbaldehyde?
The IUPAC name of 4-methoxy-7-methylquinazoline-2-carbaldehyde (CID 84776726) is 4-methoxy-7-methylquinazoline-2-carbaldehyde.
What is the SMILES notation for 4-methoxy-7-methylquinazoline-2-carbaldehyde?
The canonical SMILES for 4-methoxy-7-methylquinazoline-2-carbaldehyde is COc1nc(C=O)nc2cc(C)ccc12.
What is the InChIKey of 4-methoxy-7-methylquinazoline-2-carbaldehyde?
The InChIKey is OHMQTMDJZHAZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-3-4-8-9(5-7)12-10(6-14)13-11(8)15-2/h3-6H,1-2H3.
What are the key properties of 4-methoxy-7-methylquinazoline-2-carbaldehyde?
4-methoxy-7-methylquinazoline-2-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 4-methoxy-7-methylquinazoline-2-carbaldehyde is sourced from PubChem (CID 84776726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).