4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide

C19H16FN3O — CID 4907303

IUPAC4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
SMILESCc1ccc2cc3c(nc2c1)N(NC(=O)c1ccc(F)cc1)CC3
InChIInChI=1S/C19H16FN3O/c1-12-2-3-14-11-15-8-9-23(18(15)21-17(14)10-12)22-19(24)13-4-6-16(20)7-5-13/h2-7,10-11H,8-9H2,1H3,(H,22,24)
InChIKeyXTEPEOHCLFCUCR-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.39
Rot. Bonds2

About 4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide

4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (PubChem CID 4907303) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
PubChem CID4907303
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
SMILESCc1ccc2cc3c(nc2c1)N(NC(=O)c1ccc(F)cc1)CC3
InChIInChI=1S/C19H16FN3O/c1-12-2-3-14-11-15-8-9-23(18(15)21-17(14)10-12)22-19(24)13-4-6-16(20)7-5-13/h2-7,10-11H,8-9H2,1H3,(H,22,24)
InChIKeyXTEPEOHCLFCUCR-UHFFFAOYSA-N
XLogP3.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
CID 15987804
N-(7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)propanamide
CID 4911243
2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide
CID 1489619
N-(2-(pyrrolidin-1-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 10150955
N-(2-(2-methylpyrrolidin-1-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018932
N-(2-(3-methylpyrrolidin-1-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018945
N-cyclopentyl-2-[3-(trifluoromethyl)anilino]quinoline-4-carboxamide
CID 5079857
4-butyl-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide
CID 15987778
N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N-methylacetamide
CID 56594891
2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]-N,N-dipropylacetamide
CID 56594893
N-(7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)acetamide
CID 4908746
N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide
CID 24762045

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
The IUPAC name of 4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (CID 4907303) is 4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is Cc1ccc2cc3c(nc2c1)N(NC(=O)c1ccc(F)cc1)CC3.
What is the InChIKey of 4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
The InChIKey is XTEPEOHCLFCUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-12-2-3-14-11-15-8-9-23(18(15)21-17(14)10-12)22-19(24)13-4-6-16(20)7-5-13/h2-7,10-11H,8-9H2,1H3,(H,22,24).
What are the key properties of 4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide has a molecular weight of 321.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is sourced from PubChem (CID 4907303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).