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

C18H21FN2O2 — CID 143709199

IUPACfluoro 7-tert-butyl-3-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
SMILESC=Cc1c(C(=O)OF)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3
InChIInChI=1S/C18H21FN2O2/c1-5-12-15-14(21-16(12)17(22)23-19)9-10-8-11(18(2,3)4)6-7-13(10)20-15/h5,9,11,21H,1,6-8H2,2-4H3
InChIKeyVCSBKJWZTDTBAP-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.40
Rot. Bonds2

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

fluoro 7-tert-butyl-3-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (PubChem CID 143709199) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is fluoro 7-tert-butyl-3-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.

Molecular Properties

Compound Namefluoro 7-tert-butyl-3-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
PubChem CID143709199
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Namefluoro 7-tert-butyl-3-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
SMILESC=Cc1c(C(=O)OF)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3
InChIInChI=1S/C18H21FN2O2/c1-5-12-15-14(21-16(12)17(22)23-19)9-10-8-11(18(2,3)4)6-7-13(10)20-15/h5,9,11,21H,1,6-8H2,2-4H3
InChIKeyVCSBKJWZTDTBAP-UHFFFAOYSA-N
XLogP4.40
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze fluoro 7-tert-butyl-3-ethenyl-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-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
The IUPAC name of fluoro 7-tert-butyl-3-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate (CID 143709199) is fluoro 7-tert-butyl-3-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate.
What is the SMILES notation for fluoro 7-tert-butyl-3-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
The canonical SMILES for fluoro 7-tert-butyl-3-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is C=Cc1c(C(=O)OF)[nH]c2cc3c(nc12)CCC(C(C)(C)C)C3.
What is the InChIKey of fluoro 7-tert-butyl-3-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
The InChIKey is VCSBKJWZTDTBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-5-12-15-14(21-16(12)17(22)23-19)9-10-8-11(18(2,3)4)6-7-13(10)20-15/h5,9,11,21H,1,6-8H2,2-4H3.
What are the key properties of fluoro 7-tert-butyl-3-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate?
fluoro 7-tert-butyl-3-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 4.40, 2 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-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate is sourced from PubChem (CID 143709199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).