8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine

C15H10ClF2N3O — CID 178009283

IUPAC8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1cc(-c2ccc(F)c(Cl)c2F)c2ncnc(N)c2c1
InChIInChI=1S/C15H10ClF2N3O/c1-22-7-4-9(8-2-3-11(17)12(16)13(8)18)14-10(5-7)15(19)21-6-20-14/h2-6H,1H3,(H2,19,20,21)
InChIKeyJMJFTLFENQSWKR-UHFFFAOYSA-N
MW321.71 g/mol
LogP3.82
Rot. Bonds2

About 8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine

8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine (PubChem CID 178009283) has the molecular formula C15H10ClF2N3O and a molecular weight of 321.71 g/mol. Its IUPAC name is 8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine
PubChem CID178009283
Molecular FormulaC15H10ClF2N3O
Molecular Weight321.71 g/mol
Exact Mass321.05
IUPAC Name8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1cc(-c2ccc(F)c(Cl)c2F)c2ncnc(N)c2c1
InChIInChI=1S/C15H10ClF2N3O/c1-22-7-4-9(8-2-3-11(17)12(16)13(8)18)14-10(5-7)15(19)21-6-20-14/h2-6H,1H3,(H2,19,20,21)
InChIKeyJMJFTLFENQSWKR-UHFFFAOYSA-N
XLogP3.82
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

8-(3-chloro-2,4-difluorophenyl)-6-[(1S,5R)-6-oxa-3-azabicyclo[3.2.1]octan-3-yl]quinazolin-4-amine
CID 178009372
8-(3-chloro-2,4-difluorophenyl)-6-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]quinazolin-4-amine
CID 178009450
8-(3-chloro-2,4-difluorophenyl)-6-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 178009143
6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine
CID 118447998
6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine
CID 82717490
4-amino-8-(2,3-dichlorophenyl)quinazolin-6-ol
CID 178009421
8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine
CID 178009493
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
4-chloro-8-(4-methoxyphenyl)quinazoline
CID 152605650
5-methoxy-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647101
4-(2-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 115505211
5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene
CID 142278551

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine?
The IUPAC name of 8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine (CID 178009283) is 8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for 8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine?
The canonical SMILES for 8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine is COc1cc(-c2ccc(F)c(Cl)c2F)c2ncnc(N)c2c1.
What is the InChIKey of 8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine?
The InChIKey is JMJFTLFENQSWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O/c1-22-7-4-9(8-2-3-11(17)12(16)13(8)18)14-10(5-7)15(19)21-6-20-14/h2-6H,1H3,(H2,19,20,21).
What are the key properties of 8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine?
8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine has a molecular weight of 321.71 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-2,4-difluorophenyl)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 178009283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).