4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide

C20H20FN3O2 — CID 87053990

IUPAC4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCCN1c2cc(C(=O)Nc3ccccc3F)ccc2C(=O)N2CCCC21
InChIInChI=1S/C20H20FN3O2/c1-2-23-17-12-13(19(25)22-16-7-4-3-6-15(16)21)9-10-14(17)20(26)24-11-5-8-18(23)24/h3-4,6-7,9-10,12,18H,2,5,8,11H2,1H3,(H,22,25)
InChIKeyVULAQMPWQQBUKU-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.48
Rot. Bonds3

About 4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide

4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 87053990) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID87053990
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCCN1c2cc(C(=O)Nc3ccccc3F)ccc2C(=O)N2CCCC21
InChIInChI=1S/C20H20FN3O2/c1-2-23-17-12-13(19(25)22-16-7-4-3-6-15(16)21)9-10-14(17)20(26)24-11-5-8-18(23)24/h3-4,6-7,9-10,12,18H,2,5,8,11H2,1H3,(H,22,25)
InChIKeyVULAQMPWQQBUKU-UHFFFAOYSA-N
XLogP3.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[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

N-(3,5-difluorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
CID 91907607
(5aS)-5-ethyl-N-(3-fluorophenyl)-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 99751053
N-(4-chloro-2-methylphenyl)-5-ethyl-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 91907535
N-(4-chlorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
CID 87054097
5-ethyl-N-(3-methylsulfanylphenyl)-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
CID 87054121
N-(3,5-dimethylphenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
CID 87054111
(5aS)-5-ethyl-N-(3-fluoro-4-methoxyphenyl)-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
CID 99749681
N-(4-carbamoylphenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
CID 87054100
N-(3-bromophenyl)-5-ethyl-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 91907525
N-(3-chlorophenyl)-5-ethyl-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 91907465
(5aR)-N-(4-ethoxyphenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
CID 99759063
(5aS)-N-[(3,5-difluorophenyl)methyl]-5-ethyl-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 99749454

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide (CID 87053990) is 4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide is CCN1c2cc(C(=O)Nc3ccccc3F)ccc2C(=O)N2CCCC21.
What is the InChIKey of 4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is VULAQMPWQQBUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-2-23-17-12-13(19(25)22-16-7-4-3-6-15(16)21)9-10-14(17)20(26)24-11-5-8-18(23)24/h3-4,6-7,9-10,12,18H,2,5,8,11H2,1H3,(H,22,25).
What are the key properties of 4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide?
4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-fluorophenyl)-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 87053990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).