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

C21H26N2O — CID 71811966

IUPACN-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H26N2O/c1-15(2)18-8-6-17(7-9-18)14-23-12-4-5-19-13-20(22-16(3)24)10-11-21(19)23/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,22,24)
InChIKeyZQWUIOUQAHCLGN-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.72
Rot. Bonds4

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

N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 71811966) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID71811966
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H26N2O/c1-15(2)18-8-6-17(7-9-18)14-23-12-4-5-19-13-20(22-16(3)24)10-11-21(19)23/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,22,24)
InChIKeyZQWUIOUQAHCLGN-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 71811966) is N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is ZQWUIOUQAHCLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15(2)18-8-6-17(7-9-18)14-23-12-4-5-19-13-20(22-16(3)24)10-11-21(19)23/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,22,24).
What are the key properties of N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 322.45 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 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]acetamide is sourced from PubChem (CID 71811966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).