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

C20H16FN3O2 — CID 110672755

IUPACN-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCc2cc3ccc(F)cc3nc21)c1ccccc1
InChIInChI=1S/C20H16FN3O2/c21-16-7-6-14-10-15-8-9-24(19(15)23-17(14)11-16)18(25)12-22-20(26)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,22,26)
InChIKeyHEPDIBVFWOFCHO-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.69
Rot. Bonds3

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

N-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide (PubChem CID 110672755) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide
PubChem CID110672755
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCc2cc3ccc(F)cc3nc21)c1ccccc1
InChIInChI=1S/C20H16FN3O2/c21-16-7-6-14-10-15-8-9-24(19(15)23-17(14)11-16)18(25)12-22-20(26)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,22,26)
InChIKeyHEPDIBVFWOFCHO-UHFFFAOYSA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-pyridin-2-ylmethanone
CID 110672747
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 29406171
N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide
CID 110742366
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
N-[2-(5-acetyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 110746143
5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one
CID 110672749
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylbenzamide
CID 110370767
methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate
CID 110673152
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(dimethylamino)benzamide
CID 110673376
N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 38480247
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
CID 110606102
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide
CID 18859211

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide (CID 110672755) is N-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCc2cc3ccc(F)cc3nc21)c1ccccc1.
What is the InChIKey of N-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is HEPDIBVFWOFCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-16-7-6-14-10-15-8-9-24(19(15)23-17(14)11-16)18(25)12-22-20(26)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,22,26).
What are the key properties of N-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide?
N-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 349.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 110672755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).