4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline

C24H17ClFN7 — CID 171527277

IUPAC4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline
SMILESCn1cc(-c2cncc(-c3ccc4ncnc(N5CCc6cc(F)c(Cl)cc65)c4c3)c2)nn1
InChIInChI=1S/C24H17ClFN7/c1-32-12-22(30-31-32)17-6-16(10-27-11-17)14-2-3-21-18(7-14)24(29-13-28-21)33-5-4-15-8-20(26)19(25)9-23(15)33/h2-3,6-13H,4-5H2,1H3
InChIKeyGETKNUFMVGQJCW-UHFFFAOYSA-N
MW457.90 g/mol
LogP4.97
Rot. Bonds3

About 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline

4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline (PubChem CID 171527277) has the molecular formula C24H17ClFN7 and a molecular weight of 457.90 g/mol. Its IUPAC name is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline.

Molecular Properties

Compound Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline
PubChem CID171527277
Molecular FormulaC24H17ClFN7
Molecular Weight457.90 g/mol
Exact Mass457.12
IUPAC Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline
SMILESCn1cc(-c2cncc(-c3ccc4ncnc(N5CCc6cc(F)c(Cl)cc65)c4c3)c2)nn1
InChIInChI=1S/C24H17ClFN7/c1-32-12-22(30-31-32)17-6-16(10-27-11-17)14-2-3-21-18(7-14)24(29-13-28-21)33-5-4-15-8-20(26)19(25)9-23(15)33/h2-3,6-13H,4-5H2,1H3
InChIKeyGETKNUFMVGQJCW-UHFFFAOYSA-N
XLogP4.97
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.90
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline with MolForge

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Related Compounds

4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline
CID 171527050
[2-amino-5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]methanol
CID 171527216
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 171527021
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyanopyridine-3-carboxamide
CID 171527249
4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline
CID 171527371
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol
CID 171527226
[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol
CID 171527269
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde
CID 171527023
6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide
CID 171527099
3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 171527373
2-[5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]propan-2-ol
CID 171527042
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine
CID 171527084

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline?
The IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline (CID 171527277) is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline.
What is the SMILES notation for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline?
The canonical SMILES for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline is Cn1cc(-c2cncc(-c3ccc4ncnc(N5CCc6cc(F)c(Cl)cc65)c4c3)c2)nn1.
What is the InChIKey of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline?
The InChIKey is GETKNUFMVGQJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN7/c1-32-12-22(30-31-32)17-6-16(10-27-11-17)14-2-3-21-18(7-14)24(29-13-28-21)33-5-4-15-8-20(26)19(25)9-23(15)33/h2-3,6-13H,4-5H2,1H3.
What are the key properties of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline?
4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline has a molecular weight of 457.90 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline is sourced from PubChem (CID 171527277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).