4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine

C15H12ClFN4 — CID 80773567

IUPAC4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(Nc2cc(Cl)ccc2F)c2ccccc2n1
InChIInChI=1S/C15H12ClFN4/c1-18-15-20-12-5-3-2-4-10(12)14(21-15)19-13-8-9(16)6-7-11(13)17/h2-8H,1H3,(H2,18,19,20,21)
InChIKeyYCTWPXGJSMZWRQ-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.21
Rot. Bonds3

About 4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine

4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine (PubChem CID 80773567) has the molecular formula C15H12ClFN4 and a molecular weight of 302.74 g/mol. Its IUPAC name is 4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine
PubChem CID80773567
Molecular FormulaC15H12ClFN4
Molecular Weight302.74 g/mol
Exact Mass302.07
IUPAC Name4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(Nc2cc(Cl)ccc2F)c2ccccc2n1
InChIInChI=1S/C15H12ClFN4/c1-18-15-20-12-5-3-2-4-10(12)14(21-15)19-13-8-9(16)6-7-11(13)17/h2-8H,1H3,(H2,18,19,20,21)
InChIKeyYCTWPXGJSMZWRQ-UHFFFAOYSA-N
XLogP4.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine
CID 80750488
4-N-(3-fluoro-4-methylphenyl)-2-N-methylquinazoline-2,4-diamine
CID 80750621
2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690554
4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine
CID 80769065
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690548
N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine
CID 134817436
2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80761758
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80773003
2-N-(4-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690634
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine (CID 80773567) is 4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine is CNc1nc(Nc2cc(Cl)ccc2F)c2ccccc2n1.
What is the InChIKey of 4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine?
The InChIKey is YCTWPXGJSMZWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4/c1-18-15-20-12-5-3-2-4-10(12)14(21-15)19-13-8-9(16)6-7-11(13)17/h2-8H,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine?
4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine has a molecular weight of 302.74 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80773567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).