6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide

C26H28N2O — CID 142306731

IUPAC6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCC(C)C1CCNc2c(C(=O)Nc3ccccc3)cc(Cc3ccccc3)cc21
InChIInChI=1S/C26H28N2O/c1-18(2)22-13-14-27-25-23(22)16-20(15-19-9-5-3-6-10-19)17-24(25)26(29)28-21-11-7-4-8-12-21/h3-12,16-18,22,27H,13-15H2,1-2H3,(H,28,29)
InChIKeyFRMNXWYPPRMFPY-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.08
Rot. Bonds5

About 6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide

6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 142306731) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID142306731
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCC(C)C1CCNc2c(C(=O)Nc3ccccc3)cc(Cc3ccccc3)cc21
InChIInChI=1S/C26H28N2O/c1-18(2)22-13-14-27-25-23(22)16-20(15-19-9-5-3-6-10-19)17-24(25)26(29)28-21-11-7-4-8-12-21/h3-12,16-18,22,27H,13-15H2,1-2H3,(H,28,29)
InChIKeyFRMNXWYPPRMFPY-UHFFFAOYSA-N
XLogP6.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 142306810
6-benzyl-N-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 142306764
ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
CID 134352008
4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
CID 142306893
3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
CID 142307025
4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 167954493
2-cyclopropyl-N-phenylbenzamide
CID 71426247
6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane
CID 142306693
2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide
CID 134338621
N-phenyl-2-(6-phenylhexan-2-yl)benzamide
CID 177445932
trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium
CID 102451163
4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane
CID 142306928

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of 6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 142306731) is 6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for 6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for 6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide is CC(C)C1CCNc2c(C(=O)Nc3ccccc3)cc(Cc3ccccc3)cc21.
What is the InChIKey of 6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is FRMNXWYPPRMFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-18(2)22-13-14-27-25-23(22)16-20(15-19-9-5-3-6-10-19)17-24(25)26(29)28-21-11-7-4-8-12-21/h3-12,16-18,22,27H,13-15H2,1-2H3,(H,28,29).
What are the key properties of 6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide?
6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 142306731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).