2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol

C24H20ClFN4O — CID 171527333

IUPAC2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cn1
InChIInChI=1S/C24H20ClFN4O/c1-24(2,31)22-6-4-16(12-27-22)14-3-5-20-17(9-14)23(29-13-28-20)30-8-7-15-10-19(26)18(25)11-21(15)30/h3-6,9-13,31H,7-8H2,1-2H3
InChIKeyXGNCGTGDSNAZHP-UHFFFAOYSA-N
MW434.90 g/mol
LogP5.41
Rot. Bonds3

About 2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol

2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol (PubChem CID 171527333) has the molecular formula C24H20ClFN4O and a molecular weight of 434.90 g/mol. Its IUPAC name is 2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol
PubChem CID171527333
Molecular FormulaC24H20ClFN4O
Molecular Weight434.90 g/mol
Exact Mass434.13
IUPAC Name2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cn1
InChIInChI=1S/C24H20ClFN4O/c1-24(2,31)22-6-4-16(12-27-22)14-3-5-20-17(9-14)23(29-13-28-20)30-8-7-15-10-19(26)18(25)11-21(15)30/h3-6,9-13,31H,7-8H2,1-2H3
InChIKeyXGNCGTGDSNAZHP-UHFFFAOYSA-N
XLogP5.41
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.90
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol (CID 171527333) is 2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cn1.
What is the InChIKey of 2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is XGNCGTGDSNAZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O/c1-24(2,31)22-6-4-16(12-27-22)14-3-5-20-17(9-14)23(29-13-28-20)30-8-7-15-10-19(26)18(25)11-21(15)30/h3-6,9-13,31H,7-8H2,1-2H3.
What are the key properties of 2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol?
2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 434.90 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 171527333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).