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

C23H18ClFN4O2 — CID 171527269

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol
SMILESCOc1ncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cc1CO
InChIInChI=1S/C23H18ClFN4O2/c1-31-23-16(11-30)6-15(10-26-23)13-2-3-20-17(7-13)22(28-12-27-20)29-5-4-14-8-19(25)18(24)9-21(14)29/h2-3,6-10,12,30H,4-5,11H2,1H3
InChIKeyRJMRWYGUPNBLGN-UHFFFAOYSA-N
MW436.87 g/mol
LogP4.68
Rot. Bonds4

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

[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol (PubChem CID 171527269) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol
PubChem CID171527269
Molecular FormulaC23H18ClFN4O2
Molecular Weight436.87 g/mol
Exact Mass436.11
IUPAC Name[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol
SMILESCOc1ncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cc1CO
InChIInChI=1S/C23H18ClFN4O2/c1-31-23-16(11-30)6-15(10-26-23)13-2-3-20-17(7-13)22(28-12-27-20)29-5-4-14-8-19(25)18(24)9-21(14)29/h2-3,6-10,12,30H,4-5,11H2,1H3
InChIKeyRJMRWYGUPNBLGN-UHFFFAOYSA-N
XLogP4.68
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol?
The IUPAC name of [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol (CID 171527269) is [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol.
What is the SMILES notation for [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol?
The canonical SMILES for [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol is COc1ncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cc1CO.
What is the InChIKey of [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol?
The InChIKey is RJMRWYGUPNBLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c1-31-23-16(11-30)6-15(10-26-23)13-2-3-20-17(7-13)22(28-12-27-20)29-5-4-14-8-19(25)18(24)9-21(14)29/h2-3,6-10,12,30H,4-5,11H2,1H3.
What are the key properties of [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol?
[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol has a molecular weight of 436.87 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol is sourced from PubChem (CID 171527269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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