N-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine

C21H14ClN5 — CID 121427546

IUPACN-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine
SMILESClc1cccc(Nc2ncnc3ccc(-c4cnc5[nH]ccc5c4)cc23)c1
InChIInChI=1S/C21H14ClN5/c22-16-2-1-3-17(10-16)27-21-18-9-13(4-5-19(18)25-12-26-21)15-8-14-6-7-23-20(14)24-11-15/h1-12H,(H,23,24)(H,25,26,27)
InChIKeyUFLYCVCRZRRCRY-UHFFFAOYSA-N
MW371.83 g/mol
LogP5.57
Rot. Bonds3

About N-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine

N-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine (PubChem CID 121427546) has the molecular formula C21H14ClN5 and a molecular weight of 371.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine
PubChem CID121427546
Molecular FormulaC21H14ClN5
Molecular Weight371.83 g/mol
Exact Mass371.09
IUPAC NameN-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine
SMILESClc1cccc(Nc2ncnc3ccc(-c4cnc5[nH]ccc5c4)cc23)c1
InChIInChI=1S/C21H14ClN5/c22-16-2-1-3-17(10-16)27-21-18-9-13(4-5-19(18)25-12-26-21)15-8-14-6-7-23-20(14)24-11-15/h1-12H,(H,23,24)(H,25,26,27)
InChIKeyUFLYCVCRZRRCRY-UHFFFAOYSA-N
XLogP5.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.83
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine (CID 121427546) is N-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine is Clc1cccc(Nc2ncnc3ccc(-c4cnc5[nH]ccc5c4)cc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine?
The InChIKey is UFLYCVCRZRRCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5/c22-16-2-1-3-17(10-16)27-21-18-9-13(4-5-19(18)25-12-26-21)15-8-14-6-7-23-20(14)24-11-15/h1-12H,(H,23,24)(H,25,26,27).
What are the key properties of N-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine?
N-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine has a molecular weight of 371.83 g/mol, XLogP of 5.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-amine is sourced from PubChem (CID 121427546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).