benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate

C26H31N3O4 — CID 67025753

IUPACbenzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate
SMILESCOc1ccc2ccc(=O)n(C(N)CC3CCC(NC(=O)OCc4ccccc4)CC3)c2c1
InChIInChI=1S/C26H31N3O4/c1-32-22-13-9-20-10-14-25(30)29(23(20)16-22)24(27)15-18-7-11-21(12-8-18)28-26(31)33-17-19-5-3-2-4-6-19/h2-6,9-10,13-14,16,18,21,24H,7-8,11-12,15,17,27H2,1H3,(H,28,31)
InChIKeyYRPDOWLJRKVYDK-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.34
Rot. Bonds7

About benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate

benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate (PubChem CID 67025753) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate
PubChem CID67025753
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Namebenzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate
SMILESCOc1ccc2ccc(=O)n(C(N)CC3CCC(NC(=O)OCc4ccccc4)CC3)c2c1
InChIInChI=1S/C26H31N3O4/c1-32-22-13-9-20-10-14-25(30)29(23(20)16-22)24(27)15-18-7-11-21(12-8-18)28-26(31)33-17-19-5-3-2-4-6-19/h2-6,9-10,13-14,16,18,21,24H,7-8,11-12,15,17,27H2,1H3,(H,28,31)
InChIKeyYRPDOWLJRKVYDK-UHFFFAOYSA-N
XLogP4.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267837
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393607
benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate
CID 154897684
methyl 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 67247253
benzyl N-[4-(3-oxoprop-2-enyl)cyclohexyl]carbamate
CID 87766641
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate?
The IUPAC name of benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate (CID 67025753) is benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate is COc1ccc2ccc(=O)n(C(N)CC3CCC(NC(=O)OCc4ccccc4)CC3)c2c1.
What is the InChIKey of benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate?
The InChIKey is YRPDOWLJRKVYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-32-22-13-9-20-10-14-25(30)29(23(20)16-22)24(27)15-18-7-11-21(12-8-18)28-26(31)33-17-19-5-3-2-4-6-19/h2-6,9-10,13-14,16,18,21,24H,7-8,11-12,15,17,27H2,1H3,(H,28,31).
What are the key properties of benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate?
benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate has a molecular weight of 449.55 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 67025753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).