N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine

C15H11ClFN3 — CID 110434586

IUPACN-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine
SMILESCc1c(Cl)cccc1Nc1ncnc2ccc(F)cc12
InChIInChI=1S/C15H11ClFN3/c1-9-12(16)3-2-4-13(9)20-15-11-7-10(17)5-6-14(11)18-8-19-15/h2-8H,1H3,(H,18,19,20)
InChIKeyMYCIJFKVGQPTIE-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.47
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine

N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine (PubChem CID 110434586) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine
PubChem CID110434586
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC NameN-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine
SMILESCc1c(Cl)cccc1Nc1ncnc2ccc(F)cc12
InChIInChI=1S/C15H11ClFN3/c1-9-12(16)3-2-4-13(9)20-15-11-7-10(17)5-6-14(11)18-8-19-15/h2-8H,1H3,(H,18,19,20)
InChIKeyMYCIJFKVGQPTIE-UHFFFAOYSA-N
XLogP4.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 22545479
N-(2,5-dichlorophenyl)-6-fluoroquinazolin-4-amine
CID 110434593
6-fluoro-N-quinolin-8-ylquinazolin-4-amine
CID 110434591
6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine
CID 135201644
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095
N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 166538319
N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416331
4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80737993
6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 166539805
N-(3-chloro-2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 138513770
N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine
CID 130227832
6-fluoro-N-propan-2-ylquinazolin-4-amine
CID 71684168

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine (CID 110434586) is N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine is Cc1c(Cl)cccc1Nc1ncnc2ccc(F)cc12.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine?
The InChIKey is MYCIJFKVGQPTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c1-9-12(16)3-2-4-13(9)20-15-11-7-10(17)5-6-14(11)18-8-19-15/h2-8H,1H3,(H,18,19,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine?
N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine has a molecular weight of 287.73 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 110434586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).