N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

C23H18N4O3S — CID 167778378

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)nc1-c1ccccc1
InChIInChI=1S/C23H18N4O3S/c1-13(28)20-19(14-6-3-2-4-7-14)25-23(31-20)26-21(29)15-9-10-16-17(12-15)24-18-8-5-11-27(18)22(16)30/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,25,26,29)
InChIKeyQIKNKXMZTXLJCQ-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.92
Rot. Bonds4

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 167778378) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID167778378
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)nc1-c1ccccc1
InChIInChI=1S/C23H18N4O3S/c1-13(28)20-19(14-6-3-2-4-7-14)25-23(31-20)26-21(29)15-9-10-16-17(12-15)24-18-8-5-11-27(18)22(16)30/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,25,26,29)
InChIKeyQIKNKXMZTXLJCQ-UHFFFAOYSA-N
XLogP3.92
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate
CID 167747779
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 167790827
N-(4-acetamidophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 26718308
N-(1,3-benzothiazol-2-yl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 8928103
N-(3-acetylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9095690
12-oxo-N-(4-phenylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 7598609
12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4816890
12-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 16605137
N-(2-carbamoylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9398991
N-(4-methyl-1,3-benzothiazol-2-yl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 8927685
N-(2-fluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 8780410
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 167778378) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is CC(=O)c1sc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is QIKNKXMZTXLJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c1-13(28)20-19(14-6-3-2-4-7-14)25-23(31-20)26-21(29)15-9-10-16-17(12-15)24-18-8-5-11-27(18)22(16)30/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,25,26,29).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 167778378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).