2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline

C9H4Cl2FIN2 — CID 170624317

IUPAC2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline
SMILESCc1c(I)cc(F)c2nc(Cl)nc(Cl)c12
InChIInChI=1S/C9H4Cl2FIN2/c1-3-5(13)2-4(12)7-6(3)8(10)15-9(11)14-7/h2H,1H3
InChIKeySWKNMDCNHRLXBS-UHFFFAOYSA-N
MW356.95 g/mol
LogP3.99
Rot. Bonds

About 2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline

2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline (PubChem CID 170624317) has the molecular formula C9H4Cl2FIN2 and a molecular weight of 356.95 g/mol. Its IUPAC name is 2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline.

Molecular Properties

Compound Name2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline
PubChem CID170624317
Molecular FormulaC9H4Cl2FIN2
Molecular Weight356.95 g/mol
Exact Mass355.88
IUPAC Name2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline
SMILESCc1c(I)cc(F)c2nc(Cl)nc(Cl)c12
InChIInChI=1S/C9H4Cl2FIN2/c1-3-5(13)2-4(12)7-6(3)8(10)15-9(11)14-7/h2H,1H3
InChIKeySWKNMDCNHRLXBS-UHFFFAOYSA-N
XLogP3.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.95
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2,4-dichloro-5,8-difluoroquinazoline
CID 176948856
2,4,6-trichloro-8-fluoro-7-iodoquinazoline
CID 130218460
7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline
CID 170926123
2-chloro-5-fluoro-8-methylquinazolin-4-amine
CID 130051304
6-chloro-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 155970404
(6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol
CID 163303923
2-bromo-6-chloro-3-fluoro-5-methylpyridine
CID 130114370
2-chloro-5-fluoro-4,8-dimethylquinazoline
CID 130051303
2,4-dichloro-6-fluoro-7-methylquinazoline
CID 167510683
2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine
CID 89460082
6-bromo-2,4-dichloro-8-iodoquinazoline
CID 122519729
2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine
CID 114693468

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline?
The IUPAC name of 2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline (CID 170624317) is 2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline.
What is the SMILES notation for 2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline?
The canonical SMILES for 2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline is Cc1c(I)cc(F)c2nc(Cl)nc(Cl)c12.
What is the InChIKey of 2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline?
The InChIKey is SWKNMDCNHRLXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2FIN2/c1-3-5(13)2-4(12)7-6(3)8(10)15-9(11)14-7/h2H,1H3.
What are the key properties of 2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline?
2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline has a molecular weight of 356.95 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline is sourced from PubChem (CID 170624317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).