N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

C18H18N4O2S — CID 2347928

IUPACN-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
SMILESCc1csc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)n1
InChIInChI=1S/C18H18N4O2S/c1-11-10-25-18(19-11)21-16(23)12-6-7-13-14(9-12)20-15-5-3-2-4-8-22(15)17(13)24/h6-7,9-10H,2-5,8H2,1H3,(H,19,21,23)
InChIKeyOZYSLCHPTGWKIJ-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.14
Rot. Bonds2

About N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide (PubChem CID 2347928) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
PubChem CID2347928
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
SMILESCc1csc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)n1
InChIInChI=1S/C18H18N4O2S/c1-11-10-25-18(19-11)21-16(23)12-6-7-13-14(9-12)20-15-5-3-2-4-8-22(15)17(13)24/h6-7,9-10H,2-5,8H2,1H3,(H,19,21,23)
InChIKeyOZYSLCHPTGWKIJ-UHFFFAOYSA-N
XLogP3.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide (CID 2347928) is N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide is Cc1csc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide?
The InChIKey is OZYSLCHPTGWKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-10-25-18(19-11)21-16(23)12-6-7-13-14(9-12)20-15-5-3-2-4-8-22(15)17(13)24/h6-7,9-10H,2-5,8H2,1H3,(H,19,21,23).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 2347928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).