fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

C19H23FN2O2 — CID 143709169

IUPACfluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
SMILESC=CCc1c(C(=O)OF)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3
InChIInChI=1S/C19H23FN2O2/c1-5-6-13-16-15(22-17(13)18(23)24-20)10-11-9-12(19(2,3)4)7-8-14(11)21-16/h5,10,12,22H,1,6-9H2,2-4H3
InChIKeyGSKKBTWOXXTOEN-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.48
Rot. Bonds3

About fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate

fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (PubChem CID 143709169) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.

Molecular Properties

Compound Namefluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
PubChem CID143709169
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Namefluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
SMILESC=CCc1c(C(=O)OF)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3
InChIInChI=1S/C19H23FN2O2/c1-5-6-13-16-15(22-17(13)18(23)24-20)10-11-9-12(19(2,3)4)7-8-14(11)21-16/h5,10,12,22H,1,6-9H2,2-4H3
InChIKeyGSKKBTWOXXTOEN-UHFFFAOYSA-N
XLogP4.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate with MolForge

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Related Compounds

Harman-3-Carboxylic Acid
CID 5406157
Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
10-Iodo-11h-Indolo[3,2-C]quinoline-6-Carboxylic Acid
CID 91664021
methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 6198021
11H-indolo[3,2-c]quinoline-6,8-dicarboxylic acid
CID 102287892
methyl 1-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 5421897
11H-indolo[3,2-c]quinoline-6-carboxylic acid
CID 122181008
1-Vinyl-beta-carboline-3-carboxylic acid
CID 13192928
10-fluoro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid
CID 122181022
Nonocarboline B
CID 168287721
1-butyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 21121006
1-Ethyl-beta-carboline-3-carboxylic acid
CID 13192929

Frequently Asked Questions

What is the IUPAC name of fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
The IUPAC name of fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (CID 143709169) is fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.
What is the SMILES notation for fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
The canonical SMILES for fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is C=CCc1c(C(=O)OF)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.
What is the InChIKey of fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
The InChIKey is GSKKBTWOXXTOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-5-6-13-16-15(22-17(13)18(23)24-20)10-11-9-12(19(2,3)4)7-8-14(11)21-16/h5,10,12,22H,1,6-9H2,2-4H3.
What are the key properties of fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate has a molecular weight of 330.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 7-tert-butyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is sourced from PubChem (CID 143709169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).