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

C16H16ClNO3 — CID 142191897

IUPACethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate
SMILESCCOC(=O)C1(Oc2cc(Cl)nc3ccccc23)CCC1
InChIInChI=1S/C16H16ClNO3/c1-2-20-15(19)16(8-5-9-16)21-13-10-14(17)18-12-7-4-3-6-11(12)13/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyDXWPQKGOPPCPQP-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.75
Rot. Bonds4

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

ethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate (PubChem CID 142191897) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is ethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate
PubChem CID142191897
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Nameethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate
SMILESCCOC(=O)C1(Oc2cc(Cl)nc3ccccc23)CCC1
InChIInChI=1S/C16H16ClNO3/c1-2-20-15(19)16(8-5-9-16)21-13-10-14(17)18-12-7-4-3-6-11(12)13/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyDXWPQKGOPPCPQP-UHFFFAOYSA-N
XLogP3.75
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate
CID 142191912
ethyl 1-(2-chloro-7-methylquinolin-4-yl)oxycyclobutane-1-carboxylate
CID 142191918
1-(2-bromoquinolin-4-yl)oxycyclobutane-1-carboxylic acid
CID 142191920
2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid
CID 68600255
ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate
CID 86634720
ethyl 4-[2-[[6,7-dichloro-4-(1-ethoxycarbonylcyclobutyl)oxyquinoline-2-carbonyl]amino]-5-ethoxy-5-oxopentanoyl]piperazine-1-carboxylate
CID 22185034
ethyl 4-[(2-chloroquinoline-4-carbonyl)amino]-3,5-dimethylbenzoate
CID 118174966
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
ethyl 1-(2-naphthalen-1-ylquinolin-4-yl)-2-oxocyclopentane-1-carboxylate
CID 134867055
ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate
CID 13191626
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide
CID 62517076
ethyl 1-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxylate
CID 79480839

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate (CID 142191897) is ethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate is CCOC(=O)C1(Oc2cc(Cl)nc3ccccc23)CCC1.
What is the InChIKey of ethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate?
The InChIKey is DXWPQKGOPPCPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-2-20-15(19)16(8-5-9-16)21-13-10-14(17)18-12-7-4-3-6-11(12)13/h3-4,6-7,10H,2,5,8-9H2,1H3.
What are the key properties of ethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate?
ethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate has a molecular weight of 305.76 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-chloroquinolin-4-yl)oxycyclobutane-1-carboxylate is sourced from PubChem (CID 142191897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).