4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline

C23H16ClN5 — CID 155816469

IUPAC4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline
SMILESClc1ccc2c(c1)N(c1ncnc3ccc(-c4cnc5[nH]ccc5c4)cc13)CC2
InChIInChI=1S/C23H16ClN5/c24-18-3-1-14-6-8-29(21(14)11-18)23-19-10-15(2-4-20(19)27-13-28-23)17-9-16-5-7-25-22(16)26-12-17/h1-5,7,9-13H,6,8H2,(H,25,26)
InChIKeySAFLQSGYYCHBMN-UHFFFAOYSA-N
MW397.87 g/mol
LogP5.52
Rot. Bonds2

About 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline

4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline (PubChem CID 155816469) has the molecular formula C23H16ClN5 and a molecular weight of 397.87 g/mol. Its IUPAC name is 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline.

Molecular Properties

Compound Name4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline
PubChem CID155816469
Molecular FormulaC23H16ClN5
Molecular Weight397.87 g/mol
Exact Mass397.11
IUPAC Name4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline
SMILESClc1ccc2c(c1)N(c1ncnc3ccc(-c4cnc5[nH]ccc5c4)cc13)CC2
InChIInChI=1S/C23H16ClN5/c24-18-3-1-14-6-8-29(21(14)11-18)23-19-10-15(2-4-20(19)27-13-28-23)17-9-16-5-7-25-22(16)26-12-17/h1-5,7,9-13H,6,8H2,(H,25,26)
InChIKeySAFLQSGYYCHBMN-UHFFFAOYSA-N
XLogP5.52
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.87
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline?
The IUPAC name of 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline (CID 155816469) is 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline.
What is the SMILES notation for 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline?
The canonical SMILES for 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline is Clc1ccc2c(c1)N(c1ncnc3ccc(-c4cnc5[nH]ccc5c4)cc13)CC2.
What is the InChIKey of 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline?
The InChIKey is SAFLQSGYYCHBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5/c24-18-3-1-14-6-8-29(21(14)11-18)23-19-10-15(2-4-20(19)27-13-28-23)17-9-16-5-7-25-22(16)26-12-17/h1-5,7,9-13H,6,8H2,(H,25,26).
What are the key properties of 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline?
4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline has a molecular weight of 397.87 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2,3-dihydroindol-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline is sourced from PubChem (CID 155816469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).