4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide

C17H14N6O — CID 50940492

IUPAC4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide
SMILESCc1nc(N)c2cccc(C(=O)Nc3cnc4[nH]ccc4c3)c2n1
InChIInChI=1S/C17H14N6O/c1-9-21-14-12(15(18)22-9)3-2-4-13(14)17(24)23-11-7-10-5-6-19-16(10)20-8-11/h2-8H,1H3,(H,19,20)(H,23,24)(H2,18,21,22)
InChIKeyJOSFZQUMBPOYBO-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.65
Rot. Bonds2

About 4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide

4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide (PubChem CID 50940492) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide
PubChem CID50940492
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide
SMILESCc1nc(N)c2cccc(C(=O)Nc3cnc4[nH]ccc4c3)c2n1
InChIInChI=1S/C17H14N6O/c1-9-21-14-12(15(18)22-9)3-2-4-13(14)17(24)23-11-7-10-5-6-19-16(10)20-8-11/h2-8H,1H3,(H,19,20)(H,23,24)(H2,18,21,22)
InChIKeyJOSFZQUMBPOYBO-UHFFFAOYSA-N
XLogP2.65
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide?
The IUPAC name of 4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide (CID 50940492) is 4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide.
What is the SMILES notation for 4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide?
The canonical SMILES for 4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide is Cc1nc(N)c2cccc(C(=O)Nc3cnc4[nH]ccc4c3)c2n1.
What is the InChIKey of 4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide?
The InChIKey is JOSFZQUMBPOYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-9-21-14-12(15(18)22-9)3-2-4-13(14)17(24)23-11-7-10-5-6-19-16(10)20-8-11/h2-8H,1H3,(H,19,20)(H,23,24)(H2,18,21,22).
What are the key properties of 4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide?
4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide is sourced from PubChem (CID 50940492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).