3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide

C22H23N3O5 — CID 46261313

IUPAC3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCC4)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-28-17-10-13(11-18(29-2)20(17)30-3)21(26)23-14-7-8-16-15(12-14)22(27)25-9-5-4-6-19(25)24-16/h7-8,10-12H,4-6,9H2,1-3H3,(H,23,26)
InChIKeyNMUYSHXFVIKDOW-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.01
Rot. Bonds5

About 3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide

3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide (PubChem CID 46261313) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
PubChem CID46261313
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCC4)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-28-17-10-13(11-18(29-2)20(17)30-3)21(26)23-14-7-8-16-15(12-14)22(27)25-9-5-4-6-19(25)24-16/h7-8,10-12H,4-6,9H2,1-3H3,(H,23,26)
InChIKeyNMUYSHXFVIKDOW-UHFFFAOYSA-N
XLogP3.01
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide with MolForge

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Related Compounds

4-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide
CID 46261345
2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24748020
3-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24747964
2-ethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 46261327
N-(2-methoxyethyl)-N'-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)propanediamide
CID 20890280
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 16603100
N'-(2,4-dimethoxyphenyl)-N'-methyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)oxamide
CID 23602329
2-chloro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)pyridine-3-carboxamide
CID 24791419
5-bromo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)furan-2-carboxamide
CID 4259168
N-(3-methoxyphenyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 17496151
1-[(2,5-dimethoxyphenyl)methyl]-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea
CID 4063066
2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 46261315

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide (CID 46261313) is 3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide is COc1cc(C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCC4)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The InChIKey is NMUYSHXFVIKDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-28-17-10-13(11-18(29-2)20(17)30-3)21(26)23-14-7-8-16-15(12-14)22(27)25-9-5-4-6-19(25)24-16/h7-8,10-12H,4-6,9H2,1-3H3,(H,23,26).
What are the key properties of 3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide has a molecular weight of 409.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide is sourced from PubChem (CID 46261313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).