N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide

C24H30N2O2 — CID 71812005

IUPACN-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide
SMILESCC(C)c1ccc(CN2CCCc3cc(NC(=O)C4CCOC4)ccc32)cc1
InChIInChI=1S/C24H30N2O2/c1-17(2)19-7-5-18(6-8-19)15-26-12-3-4-20-14-22(9-10-23(20)26)25-24(27)21-11-13-28-16-21/h5-10,14,17,21H,3-4,11-13,15-16H2,1-2H3,(H,25,27)
InChIKeyZIISEQLKFNBRCT-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.74
Rot. Bonds5

About N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide

N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide (PubChem CID 71812005) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide
PubChem CID71812005
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide
SMILESCC(C)c1ccc(CN2CCCc3cc(NC(=O)C4CCOC4)ccc32)cc1
InChIInChI=1S/C24H30N2O2/c1-17(2)19-7-5-18(6-8-19)15-26-12-3-4-20-14-22(9-10-23(20)26)25-24(27)21-11-13-28-16-21/h5-10,14,17,21H,3-4,11-13,15-16H2,1-2H3,(H,25,27)
InChIKeyZIISEQLKFNBRCT-UHFFFAOYSA-N
XLogP4.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71811966
N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide
CID 71811900
N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71811983
N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide
CID 78004870
N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71812001
N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide
CID 11210623
N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71811962
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide
CID 55138702
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 18584143
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414
4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide
CID 71812022

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide?
The IUPAC name of N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide (CID 71812005) is N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide is CC(C)c1ccc(CN2CCCc3cc(NC(=O)C4CCOC4)ccc32)cc1.
What is the InChIKey of N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide?
The InChIKey is ZIISEQLKFNBRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17(2)19-7-5-18(6-8-19)15-26-12-3-4-20-14-22(9-10-23(20)26)25-24(27)21-11-13-28-16-21/h5-10,14,17,21H,3-4,11-13,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide?
N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide is sourced from PubChem (CID 71812005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).