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

C20H18ClN3O3 — CID 6623418

IUPAC5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCC3
InChIInChI=1S/C20H18ClN3O3/c1-27-17-8-5-12(21)10-15(17)19(25)22-13-6-7-16-14(11-13)20(26)24-9-3-2-4-18(24)23-16/h5-8,10-11H,2-4,9H2,1H3,(H,22,25)
InChIKeyFNJCXFUSQMPZTF-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.65
Rot. Bonds3

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

5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide (PubChem CID 6623418) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
PubChem CID6623418
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCC3
InChIInChI=1S/C20H18ClN3O3/c1-27-17-8-5-12(21)10-15(17)19(25)22-13-6-7-16-14(11-13)20(26)24-9-3-2-4-18(24)23-16/h5-8,10-11H,2-4,9H2,1H3,(H,22,25)
InChIKeyFNJCXFUSQMPZTF-UHFFFAOYSA-N
XLogP3.65
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide (CID 6623418) is 5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCC3.
What is the InChIKey of 5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The InChIKey is FNJCXFUSQMPZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-27-17-8-5-12(21)10-15(17)19(25)22-13-6-7-16-14(11-13)20(26)24-9-3-2-4-18(24)23-16/h5-8,10-11H,2-4,9H2,1H3,(H,22,25).
What are the key properties of 5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide has a molecular weight of 383.84 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide is sourced from PubChem (CID 6623418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).