ethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate

C14H18N2O3 — CID 7656436

IUPACethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C14H18N2O3/c1-3-19-14(18)15-12-6-7-13-11(9-12)5-4-8-16(13)10(2)17/h6-7,9H,3-5,8H2,1-2H3,(H,15,18)
InChIKeyZSGCGKAOQRDOEX-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.55
Rot. Bonds2

About ethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate

ethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate (PubChem CID 7656436) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
PubChem CID7656436
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C14H18N2O3/c1-3-19-14(18)15-12-6-7-13-11(9-12)5-4-8-16(13)10(2)17/h6-7,9H,3-5,8H2,1-2H3,(H,15,18)
InChIKeyZSGCGKAOQRDOEX-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 4-(4-amino-3-methylphenyl)piperazine-1-carboxylate
CID 44522398
6-Amino-1-methyl-1,2,3,4-tetrahydroquinolin-2-one
CID 21877756
N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188347
N-[(1-propyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide
CID 122188349
N-[(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
CID 137636079
3-methoxy-N-[2-(3-methoxypropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]propanamide
CID 16191180
4-(2-p-Tolylcarbamoyl-ethyl)-piperazine-1-carboxylic acid ethyl ester
CID 719559
Ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate
CID 888012
1-Propylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53317169
1-Methylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53318454
1-Butylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53321084
1-Ethylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53326338

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate?
The IUPAC name of ethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate (CID 7656436) is ethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate.
What is the SMILES notation for ethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate?
The canonical SMILES for ethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate is CCOC(=O)Nc1ccc2c(c1)CCCN2C(C)=O.
What is the InChIKey of ethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate?
The InChIKey is ZSGCGKAOQRDOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-19-14(18)15-12-6-7-13-11(9-12)5-4-8-16(13)10(2)17/h6-7,9H,3-5,8H2,1-2H3,(H,15,18).
What are the key properties of ethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate?
ethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate has a molecular weight of 262.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamate is sourced from PubChem (CID 7656436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).