1H-pyrido[2,1-b]quinazoline-6-carboxamide

C13H11N3O — CID 57102704

IUPAC1H-pyrido[2,1-b]quinazoline-6-carboxamide
SMILESNC(=O)C1=CC=CN2C=C3CC=CC=C3N=C12
InChIInChI=1S/C13H11N3O/c14-12(17)10-5-3-7-16-8-9-4-1-2-6-11(9)15-13(10)16/h1-3,5-8H,4H2,(H2,14,17)
InChIKeyKVXAWEJHYWZZIJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.37
Rot. Bonds1

About 1H-pyrido[2,1-b]quinazoline-6-carboxamide

1H-pyrido[2,1-b]quinazoline-6-carboxamide (PubChem CID 57102704) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 1H-pyrido[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name1H-pyrido[2,1-b]quinazoline-6-carboxamide
PubChem CID57102704
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name1H-pyrido[2,1-b]quinazoline-6-carboxamide
SMILESNC(=O)C1=CC=CN2C=C3CC=CC=C3N=C12
InChIInChI=1S/C13H11N3O/c14-12(17)10-5-3-7-16-8-9-4-1-2-6-11(9)15-13(10)16/h1-3,5-8H,4H2,(H2,14,17)
InChIKeyKVXAWEJHYWZZIJ-UHFFFAOYSA-N
XLogP1.37
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrido[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 1H-pyrido[2,1-b]quinazoline-6-carboxamide (CID 57102704) is 1H-pyrido[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 1H-pyrido[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 1H-pyrido[2,1-b]quinazoline-6-carboxamide is NC(=O)C1=CC=CN2C=C3CC=CC=C3N=C12.
What is the InChIKey of 1H-pyrido[2,1-b]quinazoline-6-carboxamide?
The InChIKey is KVXAWEJHYWZZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-12(17)10-5-3-7-16-8-9-4-1-2-6-11(9)15-13(10)16/h1-3,5-8H,4H2,(H2,14,17).
What are the key properties of 1H-pyrido[2,1-b]quinazoline-6-carboxamide?
1H-pyrido[2,1-b]quinazoline-6-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrido[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 57102704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).