7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide

C22H25N3O2 — CID 59237161

IUPAC7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
SMILESCC(C)(C)C1CCc2nc3c(-c4cccc(O)c4)c(C(N)=O)[nH]c3cc2C1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)14-7-8-16-13(9-14)11-17-19(24-16)18(20(25-17)21(23)27)12-5-4-6-15(26)10-12/h4-6,10-11,14,25-26H,7-9H2,1-3H3,(H2,23,27)
InChIKeyRTYYYSGEYWHGNS-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.19
Rot. Bonds2

About 7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide

7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide (PubChem CID 59237161) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
PubChem CID59237161
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
SMILESCC(C)(C)C1CCc2nc3c(-c4cccc(O)c4)c(C(N)=O)[nH]c3cc2C1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)14-7-8-16-13(9-14)11-17-19(24-16)18(20(25-17)21(23)27)12-5-4-6-15(26)10-12/h4-6,10-11,14,25-26H,7-9H2,1-3H3,(H2,23,27)
InChIKeyRTYYYSGEYWHGNS-UHFFFAOYSA-N
XLogP4.19
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The IUPAC name of 7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide (CID 59237161) is 7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The canonical SMILES for 7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide is CC(C)(C)C1CCc2nc3c(-c4cccc(O)c4)c(C(N)=O)[nH]c3cc2C1.
What is the InChIKey of 7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The InChIKey is RTYYYSGEYWHGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(2,3)14-7-8-16-13(9-14)11-17-19(24-16)18(20(25-17)21(23)27)12-5-4-6-15(26)10-12/h4-6,10-11,14,25-26H,7-9H2,1-3H3,(H2,23,27).
What are the key properties of 7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide is sourced from PubChem (CID 59237161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).