4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline

C21H15ClFN5 — CID 171527050

IUPAC4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline
SMILESCc1ncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cn1
InChIInChI=1S/C21H15ClFN5/c1-12-24-9-15(10-25-12)13-2-3-19-16(6-13)21(27-11-26-19)28-5-4-14-7-18(23)17(22)8-20(14)28/h2-3,6-11H,4-5H2,1H3
InChIKeyMCXVTAVUQQGZQM-UHFFFAOYSA-N
MW391.84 g/mol
LogP4.88
Rot. Bonds2

About 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline

4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline (PubChem CID 171527050) has the molecular formula C21H15ClFN5 and a molecular weight of 391.84 g/mol. Its IUPAC name is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline.

Molecular Properties

Compound Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline
PubChem CID171527050
Molecular FormulaC21H15ClFN5
Molecular Weight391.84 g/mol
Exact Mass391.10
IUPAC Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline
SMILESCc1ncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cn1
InChIInChI=1S/C21H15ClFN5/c1-12-24-9-15(10-25-12)13-2-3-19-16(6-13)21(27-11-26-19)28-5-4-14-7-18(23)17(22)8-20(14)28/h2-3,6-11H,4-5H2,1H3
InChIKeyMCXVTAVUQQGZQM-UHFFFAOYSA-N
XLogP4.88
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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]pyridine-2-carbaldehyde
CID 171527023
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol
CID 171527226
[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]-2-methoxy-3-pyridinyl]methanol
CID 171527269
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
4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline
CID 171527277
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyanopyridine-3-carboxamide
CID 171527249
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine
CID 171527084
6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide
CID 171527099
5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 162639344

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline?
The IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline (CID 171527050) is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline.
What is the SMILES notation for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline?
The canonical SMILES for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline is Cc1ncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cn1.
What is the InChIKey of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline?
The InChIKey is MCXVTAVUQQGZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5/c1-12-24-9-15(10-25-12)13-2-3-19-16(6-13)21(27-11-26-19)28-5-4-14-7-18(23)17(22)8-20(14)28/h2-3,6-11H,4-5H2,1H3.
What are the key properties of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline?
4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline has a molecular weight of 391.84 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline is sourced from PubChem (CID 171527050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).