(4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone

C19H15FN2O — CID 20996233

IUPAC(4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
SMILESCc1ccc2nc3c(cc2c1)CCN3C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O/c1-12-2-7-17-15(10-12)11-14-8-9-22(18(14)21-17)19(23)13-3-5-16(20)6-4-13/h2-7,10-11H,8-9H2,1H3
InChIKeyIZUPEOMKVHKMHB-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.89
Rot. Bonds1

About (4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone

(4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (PubChem CID 20996233) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is (4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
PubChem CID20996233
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name(4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
SMILESCc1ccc2nc3c(cc2c1)CCN3C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O/c1-12-2-7-17-15(10-12)11-14-8-9-22(18(14)21-17)19(23)13-3-5-16(20)6-4-13/h2-7,10-11H,8-9H2,1H3
InChIKeyIZUPEOMKVHKMHB-UHFFFAOYSA-N
XLogP3.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (CID 20996233) is (4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone is Cc1ccc2nc3c(cc2c1)CCN3C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
The InChIKey is IZUPEOMKVHKMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c1-12-2-7-17-15(10-12)11-14-8-9-22(18(14)21-17)19(23)13-3-5-16(20)6-4-13/h2-7,10-11H,8-9H2,1H3.
What are the key properties of (4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
(4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone has a molecular weight of 306.34 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone is sourced from PubChem (CID 20996233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).