N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine

C21H15ClFN3O — CID 69168252

IUPACN-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1F
InChIInChI=1S/C21H15ClFN3O/c1-27-19-7-3-6-16(20(19)23)13-8-9-18-17(10-13)21(25-12-24-18)26-15-5-2-4-14(22)11-15/h2-12H,1H3,(H,24,25,26)
InChIKeyRXTDDFCGHNNPTC-UHFFFAOYSA-N
MW379.82 g/mol
LogP5.84
Rot. Bonds4

About N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine

N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine (PubChem CID 69168252) has the molecular formula C21H15ClFN3O and a molecular weight of 379.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine
PubChem CID69168252
Molecular FormulaC21H15ClFN3O
Molecular Weight379.82 g/mol
Exact Mass379.09
IUPAC NameN-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1F
InChIInChI=1S/C21H15ClFN3O/c1-27-19-7-3-6-16(20(19)23)13-8-9-18-17(10-13)21(25-12-24-18)26-15-5-2-4-14(22)11-15/h2-12H,1H3,(H,24,25,26)
InChIKeyRXTDDFCGHNNPTC-UHFFFAOYSA-N
XLogP5.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.82
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine (CID 69168252) is N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine is COc1cccc(-c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1F.
What is the InChIKey of N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is RXTDDFCGHNNPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O/c1-27-19-7-3-6-16(20(19)23)13-8-9-18-17(10-13)21(25-12-24-18)26-15-5-2-4-14(22)11-15/h2-12H,1H3,(H,24,25,26).
What are the key properties of N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine?
N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 379.82 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 69168252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).