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

C22H17N5 — CID 175604588

IUPACN-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine
SMILESc1ccc(CNc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)cc1
InChIInChI=1S/C22H17N5/c1-2-5-15(6-3-1)12-24-22-18-11-16(8-9-20(18)26-14-27-22)19-13-25-21-17(19)7-4-10-23-21/h1-11,13-14H,12H2,(H,23,25)(H,24,26,27)
InChIKeyNPHSWXYIQFTYFN-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.79
Rot. Bonds4

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

N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine (PubChem CID 175604588) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine
PubChem CID175604588
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC NameN-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine
SMILESc1ccc(CNc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)cc1
InChIInChI=1S/C22H17N5/c1-2-5-15(6-3-1)12-24-22-18-11-16(8-9-20(18)26-14-27-22)19-13-25-21-17(19)7-4-10-23-21/h1-11,13-14H,12H2,(H,23,25)(H,24,26,27)
InChIKeyNPHSWXYIQFTYFN-UHFFFAOYSA-N
XLogP4.79
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine?
The IUPAC name of N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine (CID 175604588) is N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine is c1ccc(CNc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)cc1.
What is the InChIKey of N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine?
The InChIKey is NPHSWXYIQFTYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c1-2-5-15(6-3-1)12-24-22-18-11-16(8-9-20(18)26-14-27-22)19-13-25-21-17(19)7-4-10-23-21/h1-11,13-14H,12H2,(H,23,25)(H,24,26,27).
What are the key properties of N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine?
N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine has a molecular weight of 351.41 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine is sourced from PubChem (CID 175604588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).