N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

C18H13BrClN3O2 — CID 24979706

IUPACN-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C18H13BrClN3O2/c19-11-4-6-14(13(20)9-11)22-17(24)10-3-5-12-15(8-10)21-16-2-1-7-23(16)18(12)25/h3-6,8-9H,1-2,7H2,(H,22,24)
InChIKeyMRVDWZBVXPNQLW-UHFFFAOYSA-N
MW418.68 g/mol
LogP4.01
Rot. Bonds2

About N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 24979706) has the molecular formula C18H13BrClN3O2 and a molecular weight of 418.68 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID24979706
Molecular FormulaC18H13BrClN3O2
Molecular Weight418.68 g/mol
Exact Mass416.99
IUPAC NameN-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C18H13BrClN3O2/c19-11-4-6-14(13(20)9-11)22-17(24)10-3-5-12-15(8-10)21-16-2-1-7-23(16)18(12)25/h3-6,8-9H,1-2,7H2,(H,22,24)
InChIKeyMRVDWZBVXPNQLW-UHFFFAOYSA-N
XLogP4.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.68
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide with MolForge

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Related Compounds

N-(2-chloro-4-methylphenyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 17488109
N-(2-chloro-4-fluorophenyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 25496637
N-(2-bromo-4-methylphenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4536228
N-(2-fluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 8780410
N-(4-acetamidophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 26718308
N-(2-carbamoylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9398991
N-(2-fluoro-4-methylphenyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 9455113
N-(2,5-difluorophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 19590900
12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4816890
N-(3-acetylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9095690
N-(3-chloro-4-cyanophenyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 9456142
12-oxo-N-[2-(piperidine-1-carbonyl)phenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 31303437

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 24979706) is N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is O=C(Nc1ccc(Br)cc1Cl)c1ccc2c(=O)n3c(nc2c1)CCC3.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is MRVDWZBVXPNQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O2/c19-11-4-6-14(13(20)9-11)22-17(24)10-3-5-12-15(8-10)21-16-2-1-7-23(16)18(12)25/h3-6,8-9H,1-2,7H2,(H,22,24).
What are the key properties of N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 418.68 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 24979706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).