4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide

C18H16N6O — CID 53323643

IUPAC4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide
SMILESCc1nc(N)c2ccc(C)c(C(=O)Nc3cnc4[nH]ccc4c3)c2n1
InChIInChI=1S/C18H16N6O/c1-9-3-4-13-15(22-10(2)23-16(13)19)14(9)18(25)24-12-7-11-5-6-20-17(11)21-8-12/h3-8H,1-2H3,(H,20,21)(H,24,25)(H2,19,22,23)
InChIKeyJWOCGEPGKWSBJI-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.96
Rot. Bonds2

About 4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide

4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide (PubChem CID 53323643) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide
PubChem CID53323643
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide
SMILESCc1nc(N)c2ccc(C)c(C(=O)Nc3cnc4[nH]ccc4c3)c2n1
InChIInChI=1S/C18H16N6O/c1-9-3-4-13-15(22-10(2)23-16(13)19)14(9)18(25)24-12-7-11-5-6-20-17(11)21-8-12/h3-8H,1-2H3,(H,20,21)(H,24,25)(H2,19,22,23)
InChIKeyJWOCGEPGKWSBJI-UHFFFAOYSA-N
XLogP2.96
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide?
The IUPAC name of 4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide (CID 53323643) is 4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide.
What is the SMILES notation for 4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide?
The canonical SMILES for 4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide is Cc1nc(N)c2ccc(C)c(C(=O)Nc3cnc4[nH]ccc4c3)c2n1.
What is the InChIKey of 4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide?
The InChIKey is JWOCGEPGKWSBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-9-3-4-13-15(22-10(2)23-16(13)19)14(9)18(25)24-12-7-11-5-6-20-17(11)21-8-12/h3-8H,1-2H3,(H,20,21)(H,24,25)(H2,19,22,23).
What are the key properties of 4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide?
4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide is sourced from PubChem (CID 53323643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).