8-chloro-4-methoxyquinazoline-2-carbaldehyde

C10H7ClN2O2 — CID 84788775

IUPAC8-chloro-4-methoxyquinazoline-2-carbaldehyde
SMILESCOc1nc(C=O)nc2c(Cl)cccc12
InChIInChI=1S/C10H7ClN2O2/c1-15-10-6-3-2-4-7(11)9(6)12-8(5-14)13-10/h2-5H,1H3
InChIKeyXHSMWRQIFXCGMS-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.10
Rot. Bonds2

About 8-chloro-4-methoxyquinazoline-2-carbaldehyde

8-chloro-4-methoxyquinazoline-2-carbaldehyde (PubChem CID 84788775) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 8-chloro-4-methoxyquinazoline-2-carbaldehyde.

Molecular Properties

Compound Name8-chloro-4-methoxyquinazoline-2-carbaldehyde
PubChem CID84788775
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name8-chloro-4-methoxyquinazoline-2-carbaldehyde
SMILESCOc1nc(C=O)nc2c(Cl)cccc12
InChIInChI=1S/C10H7ClN2O2/c1-15-10-6-3-2-4-7(11)9(6)12-8(5-14)13-10/h2-5H,1H3
InChIKeyXHSMWRQIFXCGMS-UHFFFAOYSA-N
XLogP2.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.10
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

4-methoxy-7-methylquinazoline-2-carbaldehyde
CID 84776726
6-hydroxy-4-methoxyquinazoline-2-carbaldehyde
CID 84777721
4,5-dichloro-1-methoxy-3-methylisoquinoline
CID 84703122
7-chloro-2-methoxy-1H-indole-3-carbaldehyde
CID 82394981
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
8-chloro-3-methoxyquinoxalin-2-amine
CID 130019110
8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline
CID 68877483
1,2-dichlorobenzene;methyl formate
CID 162103259
8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one
CID 162391518
6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde
CID 175347635
2,8-dichloro-4-ethylquinazoline
CID 105484309
1-methoxy-3-methylisoquinolin-5-ol
CID 84661934

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-methoxyquinazoline-2-carbaldehyde?
The IUPAC name of 8-chloro-4-methoxyquinazoline-2-carbaldehyde (CID 84788775) is 8-chloro-4-methoxyquinazoline-2-carbaldehyde.
What is the SMILES notation for 8-chloro-4-methoxyquinazoline-2-carbaldehyde?
The canonical SMILES for 8-chloro-4-methoxyquinazoline-2-carbaldehyde is COc1nc(C=O)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-4-methoxyquinazoline-2-carbaldehyde?
The InChIKey is XHSMWRQIFXCGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c1-15-10-6-3-2-4-7(11)9(6)12-8(5-14)13-10/h2-5H,1H3.
What are the key properties of 8-chloro-4-methoxyquinazoline-2-carbaldehyde?
8-chloro-4-methoxyquinazoline-2-carbaldehyde has a molecular weight of 222.63 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-methoxyquinazoline-2-carbaldehyde is sourced from PubChem (CID 84788775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).