7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide

C25H31N3O2 — CID 59237214

IUPAC7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
SMILESCC(C)(C)C1CCc2nc3cc(C(=O)N[C@H](CO)Cc4ccccc4)[nH]c3cc2C1
InChIInChI=1S/C25H31N3O2/c1-25(2,3)18-9-10-20-17(12-18)13-21-22(27-20)14-23(28-21)24(30)26-19(15-29)11-16-7-5-4-6-8-16/h4-8,13-14,18-19,28-29H,9-12,15H2,1-3H3,(H,26,30)/t18?,19-/m0/s1
InChIKeySEBCPKQFURBHTB-GGYWPGCISA-N
MW405.54 g/mol
LogP4.05
Rot. Bonds5

About 7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide

7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide (PubChem CID 59237214) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
PubChem CID59237214
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
SMILESCC(C)(C)C1CCc2nc3cc(C(=O)N[C@H](CO)Cc4ccccc4)[nH]c3cc2C1
InChIInChI=1S/C25H31N3O2/c1-25(2,3)18-9-10-20-17(12-18)13-21-22(27-20)14-23(28-21)24(30)26-19(15-29)11-16-7-5-4-6-8-16/h4-8,13-14,18-19,28-29H,9-12,15H2,1-3H3,(H,26,30)/t18?,19-/m0/s1
InChIKeySEBCPKQFURBHTB-GGYWPGCISA-N
XLogP4.05
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide with MolForge

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide
CID 162970638
6-tert-butyl-N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 58749884
7-tert-butyl-2-ethenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline;N-methylmethanamine
CID 143709160
7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid
CID 155320047
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60590111
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91823512
3-amino-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7S)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-N-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbohydrazide;7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carbonitrile;(7S)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;(7R)-7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide;1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)ethanol;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanamine;(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanol
CID 157383466
7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
CID 59237161
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
2-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-1H-pyridine-4-carboxamide
CID 63261027

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The IUPAC name of 7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide (CID 59237214) is 7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The canonical SMILES for 7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide is CC(C)(C)C1CCc2nc3cc(C(=O)N[C@H](CO)Cc4ccccc4)[nH]c3cc2C1.
What is the InChIKey of 7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The InChIKey is SEBCPKQFURBHTB-GGYWPGCISA-N. The full InChI is InChI=1S/C25H31N3O2/c1-25(2,3)18-9-10-20-17(12-18)13-21-22(27-20)14-23(28-21)24(30)26-19(15-29)11-16-7-5-4-6-8-16/h4-8,13-14,18-19,28-29H,9-12,15H2,1-3H3,(H,26,30)/t18?,19-/m0/s1.
What are the key properties of 7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide is sourced from PubChem (CID 59237214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).