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

C19H16FN3O — CID 4910752

IUPAC2-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
SMILESCc1ccc2cc3c(nc2c1)N(NC(=O)c1ccccc1F)CC3
InChIInChI=1S/C19H16FN3O/c1-12-6-7-13-11-14-8-9-23(18(14)21-17(13)10-12)22-19(24)15-4-2-3-5-16(15)20/h2-7,10-11H,8-9H2,1H3,(H,22,24)
InChIKeyCWNHEXHAJGEPBM-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.39
Rot. Bonds2

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

2-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (PubChem CID 4910752) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
PubChem CID4910752
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name2-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
SMILESCc1ccc2cc3c(nc2c1)N(NC(=O)c1ccccc1F)CC3
InChIInChI=1S/C19H16FN3O/c1-12-6-7-13-11-14-8-9-23(18(14)21-17(13)10-12)22-19(24)15-4-2-3-5-16(15)20/h2-7,10-11H,8-9H2,1H3,(H,22,24)
InChIKeyCWNHEXHAJGEPBM-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
The IUPAC name of 2-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (CID 4910752) is 2-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is Cc1ccc2cc3c(nc2c1)N(NC(=O)c1ccccc1F)CC3.
What is the InChIKey of 2-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
The InChIKey is CWNHEXHAJGEPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-12-6-7-13-11-14-8-9-23(18(14)21-17(13)10-12)22-19(24)15-4-2-3-5-16(15)20/h2-7,10-11H,8-9H2,1H3,(H,22,24).
What are the key properties of 2-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
2-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 2-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is sourced from PubChem (CID 4910752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).