benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate

C20H20N2O5 — CID 15045574

IUPACbenzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate
SMILESCOc1ccc(NC(=O)OCc2ccccc2)c2c1N(C(C)=O)CCC2=O
InChIInChI=1S/C20H20N2O5/c1-13(23)22-11-10-16(24)18-15(8-9-17(26-2)19(18)22)21-20(25)27-12-14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3,(H,21,25)
InChIKeyUAUFHSCXGUDDSA-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.38
Rot. Bonds4

About benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate

benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate (PubChem CID 15045574) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate
PubChem CID15045574
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Namebenzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate
SMILESCOc1ccc(NC(=O)OCc2ccccc2)c2c1N(C(C)=O)CCC2=O
InChIInChI=1S/C20H20N2O5/c1-13(23)22-11-10-16(24)18-15(8-9-17(26-2)19(18)22)21-20(25)27-12-14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3,(H,21,25)
InChIKeyUAUFHSCXGUDDSA-UHFFFAOYSA-N
XLogP3.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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[6-methoxy-8-methyl-2-oxo-3-(phenylmethoxycarbonylamino)chromen-7-yl] acetate
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benzyl N-[2-(2-aminonaphthalen-1-yl)-3-methoxyphenyl]carbamate
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benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate
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benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
CID 70699902
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate
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[2-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate?
The IUPAC name of benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate (CID 15045574) is benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate.
What is the SMILES notation for benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate?
The canonical SMILES for benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate is COc1ccc(NC(=O)OCc2ccccc2)c2c1N(C(C)=O)CCC2=O.
What is the InChIKey of benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate?
The InChIKey is UAUFHSCXGUDDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-13(23)22-11-10-16(24)18-15(8-9-17(26-2)19(18)22)21-20(25)27-12-14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3,(H,21,25).
What are the key properties of benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate?
benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate has a molecular weight of 368.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate is sourced from PubChem (CID 15045574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).