12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide

C17H13N3O — CID 118384114

IUPAC12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESNC(=O)C1=CC=CN2Cc3cc4ccccc4cc3N=C12
InChIInChI=1S/C17H13N3O/c18-16(21)14-6-3-7-20-10-13-8-11-4-1-2-5-12(11)9-15(13)19-17(14)20/h1-9H,10H2,(H2,18,21)
InChIKeyKTVQLMYDLMSVTH-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.62
Rot. Bonds1

About 12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide

12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (PubChem CID 118384114) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.

Molecular Properties

Compound Name12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
PubChem CID118384114
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESNC(=O)C1=CC=CN2Cc3cc4ccccc4cc3N=C12
InChIInChI=1S/C17H13N3O/c18-16(21)14-6-3-7-20-10-13-8-11-4-1-2-5-12(11)9-15(13)19-17(14)20/h1-9H,10H2,(H2,18,21)
InChIKeyKTVQLMYDLMSVTH-UHFFFAOYSA-N
XLogP2.62
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The IUPAC name of 12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (CID 118384114) is 12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.
What is the SMILES notation for 12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The canonical SMILES for 12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is NC(=O)C1=CC=CN2Cc3cc4ccccc4cc3N=C12.
What is the InChIKey of 12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The InChIKey is KTVQLMYDLMSVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c18-16(21)14-6-3-7-20-10-13-8-11-4-1-2-5-12(11)9-15(13)19-17(14)20/h1-9H,10H2,(H2,18,21).
What are the key properties of 12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is sourced from PubChem (CID 118384114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).