6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine

C19H17ClF4N4O — CID 168962079

IUPAC6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1nc(C(C)C)c2cc(Cl)c(-c3nc(N)cc(C)c3C(F)(F)F)c(F)c2n1
InChIInChI=1S/C19H17ClF4N4O/c1-7(2)15-9-6-10(20)12(14(21)16(9)28-18(27-15)29-4)17-13(19(22,23)24)8(3)5-11(25)26-17/h5-7H,1-4H3,(H2,25,26)
InChIKeyKWBLSYSOAZEAQH-UHFFFAOYSA-N
MW428.82 g/mol
LogP5.53
Rot. Bonds3

About 6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine

6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 168962079) has the molecular formula C19H17ClF4N4O and a molecular weight of 428.82 g/mol. Its IUPAC name is 6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID168962079
Molecular FormulaC19H17ClF4N4O
Molecular Weight428.82 g/mol
Exact Mass428.10
IUPAC Name6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1nc(C(C)C)c2cc(Cl)c(-c3nc(N)cc(C)c3C(F)(F)F)c(F)c2n1
InChIInChI=1S/C19H17ClF4N4O/c1-7(2)15-9-6-10(20)12(14(21)16(9)28-18(27-15)29-4)17-13(19(22,23)24)8(3)5-11(25)26-17/h5-7H,1-4H3,(H2,25,26)
InChIKeyKWBLSYSOAZEAQH-UHFFFAOYSA-N
XLogP5.53
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.82
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N6-[2-amino-6-(3-chlorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine
CID 22643208
N''-{6-chloro-2-[(E)-2-(4-isopropylphenyl)vinyl]quinazolin-4-yl}-N,N-dimethylpropane-1,3-diamine
CID 121453039
US11236068, Example 19
CID 146624830
US11236068, Example 50
CID 146624900
US11236068, Example 9
CID 146624925
US11236068, Example 30
CID 146624926
US11236068, Example 32
CID 146624951
US11236068, Example 31
CID 146624993
US11236068, Example 33
CID 146625090
US11236068, Example 52
CID 146625149
US11236068, Example 60
CID 146625161
US11236068, Example 26
CID 146625183

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 168962079) is 6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine is COc1nc(C(C)C)c2cc(Cl)c(-c3nc(N)cc(C)c3C(F)(F)F)c(F)c2n1.
What is the InChIKey of 6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KWBLSYSOAZEAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF4N4O/c1-7(2)15-9-6-10(20)12(14(21)16(9)28-18(27-15)29-4)17-13(19(22,23)24)8(3)5-11(25)26-17/h5-7H,1-4H3,(H2,25,26).
What are the key properties of 6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 428.82 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-8-fluoro-2-methoxy-4-propan-2-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 168962079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).