ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate

C17H19NO3 — CID 142191912

IUPACethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate
SMILESCCOC(=O)C1(Oc2cc(C)nc3ccccc23)CCC1
InChIInChI=1S/C17H19NO3/c1-3-20-16(19)17(9-6-10-17)21-15-11-12(2)18-14-8-5-4-7-13(14)15/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyKYUYMKACNXFVRA-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.41
Rot. Bonds4

About ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate

ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate (PubChem CID 142191912) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate
PubChem CID142191912
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate
SMILESCCOC(=O)C1(Oc2cc(C)nc3ccccc23)CCC1
InChIInChI=1S/C17H19NO3/c1-3-20-16(19)17(9-6-10-17)21-15-11-12(2)18-14-8-5-4-7-13(14)15/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyKYUYMKACNXFVRA-UHFFFAOYSA-N
XLogP3.41
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate
CID 142191897
ethyl 1-(2-chloro-7-methylquinolin-4-yl)oxycyclobutane-1-carboxylate
CID 142191918
1-(2-bromoquinolin-4-yl)oxycyclobutane-1-carboxylic acid
CID 142191920
ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate
CID 142191892
ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate
CID 12964460
2-(2-methylquinolin-4-yl)oxyacetic acid
CID 658584
1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine
CID 64549371
2-(2-methylquinolin-4-yl)oxybenzoic acid
CID 61395430
3-(2-methylquinolin-4-yl)oxypropan-1-amine
CID 62349241
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
CID 79235448

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate (CID 142191912) is ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate is CCOC(=O)C1(Oc2cc(C)nc3ccccc23)CCC1.
What is the InChIKey of ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate?
The InChIKey is KYUYMKACNXFVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-20-16(19)17(9-6-10-17)21-15-11-12(2)18-14-8-5-4-7-13(14)15/h4-5,7-8,11H,3,6,9-10H2,1-2H3.
What are the key properties of ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate?
ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate is sourced from PubChem (CID 142191912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).