7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide

C22H21FN2O — CID 152941658

IUPAC7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide
SMILESCC1=C(C)c2c(c(C(N)=O)cc(F)c2-c2cccc3c2C2CC2CN3)C1
InChIInChI=1S/C22H21FN2O/c1-10-6-15-16(22(24)26)8-17(23)21(19(15)11(10)2)13-4-3-5-18-20(13)14-7-12(14)9-25-18/h3-5,8,12,14,25H,6-7,9H2,1-2H3,(H2,24,26)
InChIKeyUMXSLMGOTYBPJK-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.47
Rot. Bonds2

About 7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide

7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide (PubChem CID 152941658) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide.

Molecular Properties

Compound Name7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide
PubChem CID152941658
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide
SMILESCC1=C(C)c2c(c(C(N)=O)cc(F)c2-c2cccc3c2C2CC2CN3)C1
InChIInChI=1S/C22H21FN2O/c1-10-6-15-16(22(24)26)8-17(23)21(19(15)11(10)2)13-4-3-5-18-20(13)14-7-12(14)9-25-18/h3-5,8,12,14,25H,6-7,9H2,1-2H3,(H2,24,26)
InChIKeyUMXSLMGOTYBPJK-UHFFFAOYSA-N
XLogP4.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide?
The IUPAC name of 7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide (CID 152941658) is 7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide.
What is the SMILES notation for 7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide?
The canonical SMILES for 7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide is CC1=C(C)c2c(c(C(N)=O)cc(F)c2-c2cccc3c2C2CC2CN3)C1.
What is the InChIKey of 7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide?
The InChIKey is UMXSLMGOTYBPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-10-6-15-16(22(24)26)8-17(23)21(19(15)11(10)2)13-4-3-5-18-20(13)14-7-12(14)9-25-18/h3-5,8,12,14,25H,6-7,9H2,1-2H3,(H2,24,26).
What are the key properties of 7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide?
7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide is sourced from PubChem (CID 152941658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).