N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide

C14H13N3O2 — CID 10800993

IUPACN-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide
SMILESCNC(=O)C1=CC2Nc3ccccc3C(=O)N2C=C1
InChIInChI=1S/C14H13N3O2/c1-15-13(18)9-6-7-17-12(8-9)16-11-5-3-2-4-10(11)14(17)19/h2-8,12,16H,1H3,(H,15,18)
InChIKeyGKFFJISMJJUKOT-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.08
Rot. Bonds1

About N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide

N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide (PubChem CID 10800993) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide
PubChem CID10800993
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide
SMILESCNC(=O)C1=CC2Nc3ccccc3C(=O)N2C=C1
InChIInChI=1S/C14H13N3O2/c1-15-13(18)9-6-7-17-12(8-9)16-11-5-3-2-4-10(11)14(17)19/h2-8,12,16H,1H3,(H,15,18)
InChIKeyGKFFJISMJJUKOT-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide?
The IUPAC name of N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide (CID 10800993) is N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide.
What is the SMILES notation for N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide?
The canonical SMILES for N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide is CNC(=O)C1=CC2Nc3ccccc3C(=O)N2C=C1.
What is the InChIKey of N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide?
The InChIKey is GKFFJISMJJUKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-15-13(18)9-6-7-17-12(8-9)16-11-5-3-2-4-10(11)14(17)19/h2-8,12,16H,1H3,(H,15,18).
What are the key properties of N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide?
N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide is sourced from PubChem (CID 10800993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).