(1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate

C24H28N2O3 — CID 25205228

IUPAC(1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate
SMILESCC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCC3(C)CC3)ccc21
InChIInChI=1S/C24H28N2O3/c1-17(27)26-14-13-24(3,18-7-5-4-6-8-18)20-15-19(9-10-21(20)26)25-22(28)29-16-23(2)11-12-23/h4-10,15H,11-14,16H2,1-3H3,(H,25,28)
InChIKeyMMIYZHUSJWPHRB-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.10
Rot. Bonds4

About (1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate

(1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate (PubChem CID 25205228) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate.

Molecular Properties

Compound Name(1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate
PubChem CID25205228
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate
SMILESCC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCC3(C)CC3)ccc21
InChIInChI=1S/C24H28N2O3/c1-17(27)26-14-13-24(3,18-7-5-4-6-8-18)20-15-19(9-10-21(20)26)25-22(28)29-16-23(2)11-12-23/h4-10,15H,11-14,16H2,1-3H3,(H,25,28)
InChIKeyMMIYZHUSJWPHRB-UHFFFAOYSA-N
XLogP5.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate?
The IUPAC name of (1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate (CID 25205228) is (1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate.
What is the SMILES notation for (1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate?
The canonical SMILES for (1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate is CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCC3(C)CC3)ccc21.
What is the InChIKey of (1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate?
The InChIKey is MMIYZHUSJWPHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17(27)26-14-13-24(3,18-7-5-4-6-8-18)20-15-19(9-10-21(20)26)25-22(28)29-16-23(2)11-12-23/h4-10,15H,11-14,16H2,1-3H3,(H,25,28).
What are the key properties of (1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate?
(1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate has a molecular weight of 392.50 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)methyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate is sourced from PubChem (CID 25205228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).