benzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate

C24H22N2O3 — CID 16835059

IUPACbenzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)OCc1ccccc1
InChIInChI=1S/C24H22N2O3/c27-23(20-10-5-2-6-11-20)26-15-7-12-19-13-14-21(16-22(19)26)25-24(28)29-17-18-8-3-1-4-9-18/h1-6,8-11,13-14,16H,7,12,15,17H2,(H,25,28)
InChIKeyQHTBZPQFHPYRGQ-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.03
Rot. Bonds4

About benzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate

benzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate (PubChem CID 16835059) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is benzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate
PubChem CID16835059
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namebenzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)OCc1ccccc1
InChIInChI=1S/C24H22N2O3/c27-23(20-10-5-2-6-11-20)26-15-7-12-19-13-14-21(16-22(19)26)25-24(28)29-17-18-8-3-1-4-9-18/h1-6,8-11,13-14,16H,7,12,15,17H2,(H,25,28)
InChIKeyQHTBZPQFHPYRGQ-UHFFFAOYSA-N
XLogP5.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate?
The IUPAC name of benzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate (CID 16835059) is benzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate.
What is the SMILES notation for benzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate?
The canonical SMILES for benzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate is O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate?
The InChIKey is QHTBZPQFHPYRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-23(20-10-5-2-6-11-20)26-15-7-12-19-13-14-21(16-22(19)26)25-24(28)29-17-18-8-3-1-4-9-18/h1-6,8-11,13-14,16H,7,12,15,17H2,(H,25,28).
What are the key properties of benzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate?
benzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate has a molecular weight of 386.45 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)carbamate is sourced from PubChem (CID 16835059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).