2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide

C20H19N3O2 — CID 24748024

IUPAC2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCC3
InChIInChI=1S/C20H19N3O2/c1-13-6-2-3-7-15(13)19(24)21-14-9-10-17-16(12-14)20(25)23-11-5-4-8-18(23)22-17/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,21,24)
InChIKeyLADBNJFAUKKYHA-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.29
Rot. Bonds2

About 2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide

2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide (PubChem CID 24748024) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
PubChem CID24748024
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCC3
InChIInChI=1S/C20H19N3O2/c1-13-6-2-3-7-15(13)19(24)21-14-9-10-17-16(12-14)20(25)23-11-5-4-8-18(23)22-17/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,21,24)
InChIKeyLADBNJFAUKKYHA-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The IUPAC name of 2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide (CID 24748024) is 2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The canonical SMILES for 2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide is Cc1ccccc1C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCC3.
What is the InChIKey of 2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The InChIKey is LADBNJFAUKKYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-6-2-3-7-15(13)19(24)21-14-9-10-17-16(12-14)20(25)23-11-5-4-8-18(23)22-17/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,21,24).
What are the key properties of 2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide is sourced from PubChem (CID 24748024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).