4-(4-fluorophenyl)-N-methylquinazolin-2-amine

C15H12FN3 — CID 156576968

IUPAC4-(4-fluorophenyl)-N-methylquinazolin-2-amine
SMILESCNc1nc(-c2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C15H12FN3/c1-17-15-18-13-5-3-2-4-12(13)14(19-15)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18,19)
InChIKeyCNJSXMUIYCPVKK-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.48
Rot. Bonds2

About 4-(4-fluorophenyl)-N-methylquinazolin-2-amine

4-(4-fluorophenyl)-N-methylquinazolin-2-amine (PubChem CID 156576968) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methylquinazolin-2-amine
PubChem CID156576968
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name4-(4-fluorophenyl)-N-methylquinazolin-2-amine
SMILESCNc1nc(-c2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C15H12FN3/c1-17-15-18-13-5-3-2-4-12(13)14(19-15)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18,19)
InChIKeyCNJSXMUIYCPVKK-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quinazoline
CID 9210
4-Aminoquinazoline
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Spautin-1
CID 51037431
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4,6-Diphenylpyrimidin-2-amine
CID 619024
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
N-Methyl-9-acridinamine
CID 31503
2,4,6-Triaminoquinazoline
CID 292661
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methylquinazolin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-methylquinazolin-2-amine (CID 156576968) is 4-(4-fluorophenyl)-N-methylquinazolin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methylquinazolin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-methylquinazolin-2-amine is CNc1nc(-c2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methylquinazolin-2-amine?
The InChIKey is CNJSXMUIYCPVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c1-17-15-18-13-5-3-2-4-12(13)14(19-15)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18,19).
What are the key properties of 4-(4-fluorophenyl)-N-methylquinazolin-2-amine?
4-(4-fluorophenyl)-N-methylquinazolin-2-amine has a molecular weight of 253.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methylquinazolin-2-amine is sourced from PubChem (CID 156576968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).