6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide

C24H18ClFN6O — CID 171527099

IUPAC6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide
SMILESO=C(NC1CC1)c1cncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)n1
InChIInChI=1S/C24H18ClFN6O/c25-17-9-22-14(8-18(17)26)5-6-32(22)23-16-7-13(1-4-19(16)28-12-29-23)20-10-27-11-21(31-20)24(33)30-15-2-3-15/h1,4,7-12,15H,2-3,5-6H2,(H,30,33)
InChIKeyUMWUTEOOVAHKQQ-UHFFFAOYSA-N
MW460.90 g/mol
LogP4.47
Rot. Bonds4

About 6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide

6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide (PubChem CID 171527099) has the molecular formula C24H18ClFN6O and a molecular weight of 460.90 g/mol. Its IUPAC name is 6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide
PubChem CID171527099
Molecular FormulaC24H18ClFN6O
Molecular Weight460.90 g/mol
Exact Mass460.12
IUPAC Name6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide
SMILESO=C(NC1CC1)c1cncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)n1
InChIInChI=1S/C24H18ClFN6O/c25-17-9-22-14(8-18(17)26)5-6-32(22)23-16-7-13(1-4-19(16)28-12-29-23)20-10-27-11-21(31-20)24(33)30-15-2-3-15/h1,4,7-12,15H,2-3,5-6H2,(H,30,33)
InChIKeyUMWUTEOOVAHKQQ-UHFFFAOYSA-N
XLogP4.47
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.90
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-methylpyrimidin-5-yl)quinazoline
CID 171527050
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]-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]pyridine-2-carbaldehyde
CID 171527023
[2-amino-5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]methanol
CID 171527216
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)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine
CID 171527084
[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
N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997340

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide?
The IUPAC name of 6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide (CID 171527099) is 6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide?
The canonical SMILES for 6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide is O=C(NC1CC1)c1cncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)n1.
What is the InChIKey of 6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide?
The InChIKey is UMWUTEOOVAHKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN6O/c25-17-9-22-14(8-18(17)26)5-6-32(22)23-16-7-13(1-4-19(16)28-12-29-23)20-10-27-11-21(31-20)24(33)30-15-2-3-15/h1,4,7-12,15H,2-3,5-6H2,(H,30,33).
What are the key properties of 6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide?
6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide has a molecular weight of 460.90 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide is sourced from PubChem (CID 171527099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).