2-chloro-5-fluoro-8-methylquinazolin-4-amine

C9H7ClFN3 — CID 130051304

IUPAC2-chloro-5-fluoro-8-methylquinazolin-4-amine
SMILESCc1ccc(F)c2c(N)nc(Cl)nc12
InChIInChI=1S/C9H7ClFN3/c1-4-2-3-5(11)6-7(4)13-9(10)14-8(6)12/h2-3H,1H3,(H2,12,13,14)
InChIKeyIWXPNWYQEPHLEN-UHFFFAOYSA-N
MW211.63 g/mol
LogP2.31
Rot. Bonds

About 2-chloro-5-fluoro-8-methylquinazolin-4-amine

2-chloro-5-fluoro-8-methylquinazolin-4-amine (PubChem CID 130051304) has the molecular formula C9H7ClFN3 and a molecular weight of 211.63 g/mol. Its IUPAC name is 2-chloro-5-fluoro-8-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-8-methylquinazolin-4-amine
PubChem CID130051304
Molecular FormulaC9H7ClFN3
Molecular Weight211.63 g/mol
Exact Mass211.03
IUPAC Name2-chloro-5-fluoro-8-methylquinazolin-4-amine
SMILESCc1ccc(F)c2c(N)nc(Cl)nc12
InChIInChI=1S/C9H7ClFN3/c1-4-2-3-5(11)6-7(4)13-9(10)14-8(6)12/h2-3H,1H3,(H2,12,13,14)
InChIKeyIWXPNWYQEPHLEN-UHFFFAOYSA-N
XLogP2.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.63
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-4,8-dimethylquinazoline
CID 130051303
2-chloro-5-fluoroquinazolin-4-amine
CID 34181642
2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine
CID 114693468
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline
CID 114589887
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline
CID 62891436
5-fluoro-3,8-dimethylquinolin-2-amine
CID 63231677
4-chloro-5-fluoro-3,8-dimethylquinoline
CID 171373227
5-fluoro-3,8-dimethyl-2-phenylquinolin-4-amine
CID 104847016
(5-fluoro-2,8-dimethylquinolin-4-yl)hydrazine
CID 62250422
4-chloro-8-fluoro-2,3,5-trimethylquinoline
CID 60996951
2-chloro-3-ethyl-5-fluoro-8-methylquinazolin-4-one
CID 114693088
4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline
CID 114589862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-8-methylquinazolin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-8-methylquinazolin-4-amine (CID 130051304) is 2-chloro-5-fluoro-8-methylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-8-methylquinazolin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-8-methylquinazolin-4-amine is Cc1ccc(F)c2c(N)nc(Cl)nc12.
What is the InChIKey of 2-chloro-5-fluoro-8-methylquinazolin-4-amine?
The InChIKey is IWXPNWYQEPHLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3/c1-4-2-3-5(11)6-7(4)13-9(10)14-8(6)12/h2-3H,1H3,(H2,12,13,14).
What are the key properties of 2-chloro-5-fluoro-8-methylquinazolin-4-amine?
2-chloro-5-fluoro-8-methylquinazolin-4-amine has a molecular weight of 211.63 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-8-methylquinazolin-4-amine is sourced from PubChem (CID 130051304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).