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

C24H21ClN4O — CID 171527042

IUPAC2-[5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-c2ccc3ncnc(N4CCc5ccc(Cl)cc54)c3c2)c1
InChIInChI=1S/C24H21ClN4O/c1-24(2,30)18-9-17(12-26-13-18)16-4-6-21-20(10-16)23(28-14-27-21)29-8-7-15-3-5-19(25)11-22(15)29/h3-6,9-14,30H,7-8H2,1-2H3
InChIKeyXNZLGQYSRYSTNC-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.27
Rot. Bonds3

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

2-[5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol (PubChem CID 171527042) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-[5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol
PubChem CID171527042
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC Name2-[5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-c2ccc3ncnc(N4CCc5ccc(Cl)cc54)c3c2)c1
InChIInChI=1S/C24H21ClN4O/c1-24(2,30)18-9-17(12-26-13-18)16-4-6-21-20(10-16)23(28-14-27-21)29-8-7-15-3-5-19(25)11-22(15)29/h3-6,9-14,30H,7-8H2,1-2H3
InChIKeyXNZLGQYSRYSTNC-UHFFFAOYSA-N
XLogP5.27
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.27
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-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol (CID 171527042) is 2-[5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol is CC(C)(O)c1cncc(-c2ccc3ncnc(N4CCc5ccc(Cl)cc54)c3c2)c1.
What is the InChIKey of 2-[5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol?
The InChIKey is XNZLGQYSRYSTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O/c1-24(2,30)18-9-17(12-26-13-18)16-4-6-21-20(10-16)23(28-14-27-21)29-8-7-15-3-5-19(25)11-22(15)29/h3-6,9-14,30H,7-8H2,1-2H3.
What are the key properties of 2-[5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol?
2-[5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 416.91 g/mol, XLogP of 5.27, 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-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 171527042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).