7-methoxyquinazoline-4-carbaldehyde

C10H8N2O2 — CID 105442986

IUPAC7-methoxyquinazoline-4-carbaldehyde
SMILESCOc1ccc2c(C=O)ncnc2c1
InChIInChI=1S/C10H8N2O2/c1-14-7-2-3-8-9(4-7)11-6-12-10(8)5-13/h2-6H,1H3
InChIKeyKVQCJTBVGLWGFX-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.45
Rot. Bonds2

About 7-methoxyquinazoline-4-carbaldehyde

7-methoxyquinazoline-4-carbaldehyde (PubChem CID 105442986) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 7-methoxyquinazoline-4-carbaldehyde.

Molecular Properties

Compound Name7-methoxyquinazoline-4-carbaldehyde
PubChem CID105442986
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name7-methoxyquinazoline-4-carbaldehyde
SMILESCOc1ccc2c(C=O)ncnc2c1
InChIInChI=1S/C10H8N2O2/c1-14-7-2-3-8-9(4-7)11-6-12-10(8)5-13/h2-6H,1H3
InChIKeyKVQCJTBVGLWGFX-UHFFFAOYSA-N
XLogP1.45
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.45
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-methoxy-2-methylquinazoline-4-carbaldehyde
CID 105454201
(7-methoxyquinazolin-4-yl)methanamine
CID 105443558
2-(7-methoxyquinazolin-4-yl)acetic acid
CID 105471989
2-(7-methoxyquinazolin-4-yl)propanoic acid
CID 105490596
4,7-dimethoxyquinoline
CID 20743716
6-chloro-5-methoxypyrimidine-4-carbaldehyde
CID 126603921
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
N-hydroxy-2-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 172991562
3-(7-methoxyquinazolin-4-yl)sulfanylpropanoic acid
CID 21003198
4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine
CID 152704088
4-(azepan-4-yl)-7-methoxyquinazoline
CID 162748452

Frequently Asked Questions

What is the IUPAC name of 7-methoxyquinazoline-4-carbaldehyde?
The IUPAC name of 7-methoxyquinazoline-4-carbaldehyde (CID 105442986) is 7-methoxyquinazoline-4-carbaldehyde.
What is the SMILES notation for 7-methoxyquinazoline-4-carbaldehyde?
The canonical SMILES for 7-methoxyquinazoline-4-carbaldehyde is COc1ccc2c(C=O)ncnc2c1.
What is the InChIKey of 7-methoxyquinazoline-4-carbaldehyde?
The InChIKey is KVQCJTBVGLWGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-14-7-2-3-8-9(4-7)11-6-12-10(8)5-13/h2-6H,1H3.
What are the key properties of 7-methoxyquinazoline-4-carbaldehyde?
7-methoxyquinazoline-4-carbaldehyde has a molecular weight of 188.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyquinazoline-4-carbaldehyde is sourced from PubChem (CID 105442986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).