3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate

C25H24N2O2 — CID 11523848

IUPAC3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate
SMILESCC(C)CCOC(=O)Nc1cc(-c2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C25H24N2O2/c1-17(2)13-14-29-25(28)27-24-16-23(26-22-10-6-5-9-21(22)24)20-12-11-18-7-3-4-8-19(18)15-20/h3-12,15-17H,13-14H2,1-2H3,(H,26,27,28)
InChIKeyIIVCFIZXAWWKKJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP6.65
Rot. Bonds5

About 3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate

3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate (PubChem CID 11523848) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate.

Molecular Properties

Compound Name3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate
PubChem CID11523848
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate
SMILESCC(C)CCOC(=O)Nc1cc(-c2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C25H24N2O2/c1-17(2)13-14-29-25(28)27-24-16-23(26-22-10-6-5-9-21(22)24)20-12-11-18-7-3-4-8-19(18)15-20/h3-12,15-17H,13-14H2,1-2H3,(H,26,27,28)
InChIKeyIIVCFIZXAWWKKJ-UHFFFAOYSA-N
XLogP6.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate?
The IUPAC name of 3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate (CID 11523848) is 3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate.
What is the SMILES notation for 3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate?
The canonical SMILES for 3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate is CC(C)CCOC(=O)Nc1cc(-c2ccc3ccccc3c2)nc2ccccc12.
What is the InChIKey of 3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate?
The InChIKey is IIVCFIZXAWWKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17(2)13-14-29-25(28)27-24-16-23(26-22-10-6-5-9-21(22)24)20-12-11-18-7-3-4-8-19(18)15-20/h3-12,15-17H,13-14H2,1-2H3,(H,26,27,28).
What are the key properties of 3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate?
3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate has a molecular weight of 384.48 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl N-(2-naphthalen-2-ylquinolin-4-yl)carbamate is sourced from PubChem (CID 11523848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).