1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol

C17H14ClF2N3O — CID 86951858

IUPAC1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol
SMILESCC(O)(CNc1ncnc2cc(Cl)ccc12)c1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N3O/c1-17(24,13-5-3-11(19)7-14(13)20)8-21-16-12-4-2-10(18)6-15(12)22-9-23-16/h2-7,9,24H,8H2,1H3,(H,21,22,23)
InChIKeyAFCKOLGBGHIGCL-UHFFFAOYSA-N
MW349.77 g/mol
LogP3.88
Rot. Bonds4

About 1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol

1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol (PubChem CID 86951858) has the molecular formula C17H14ClF2N3O and a molecular weight of 349.77 g/mol. Its IUPAC name is 1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol
PubChem CID86951858
Molecular FormulaC17H14ClF2N3O
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol
SMILESCC(O)(CNc1ncnc2cc(Cl)ccc12)c1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N3O/c1-17(24,13-5-3-11(19)7-14(13)20)8-21-16-12-4-2-10(18)6-15(12)22-9-23-16/h2-7,9,24H,8H2,1H3,(H,21,22,23)
InChIKeyAFCKOLGBGHIGCL-UHFFFAOYSA-N
XLogP3.88
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol?
The IUPAC name of 1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol (CID 86951858) is 1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol is CC(O)(CNc1ncnc2cc(Cl)ccc12)c1ccc(F)cc1F.
What is the InChIKey of 1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol?
The InChIKey is AFCKOLGBGHIGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O/c1-17(24,13-5-3-11(19)7-14(13)20)8-21-16-12-4-2-10(18)6-15(12)22-9-23-16/h2-7,9,24H,8H2,1H3,(H,21,22,23).
What are the key properties of 1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol?
1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol has a molecular weight of 349.77 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol is sourced from PubChem (CID 86951858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).