ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate

C23H19NO3 — CID 132534382

IUPACethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3ccccc3c2)c2cc(OC)ccc2n1
InChIInChI=1S/C23H19NO3/c1-3-27-23(25)22-14-19(20-13-18(26-2)10-11-21(20)24-22)17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,3H2,1-2H3
InChIKeyTYJSSYWSOMCKIF-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.24
Rot. Bonds4

About ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate

ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate (PubChem CID 132534382) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate
PubChem CID132534382
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Nameethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3ccccc3c2)c2cc(OC)ccc2n1
InChIInChI=1S/C23H19NO3/c1-3-27-23(25)22-14-19(20-13-18(26-2)10-11-21(20)24-22)17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,3H2,1-2H3
InChIKeyTYJSSYWSOMCKIF-UHFFFAOYSA-N
XLogP5.24
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
ethyl 7-methoxy-1-phenylsulfanylisoquinoline-3-carboxylate
CID 132962008
ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate
CID 15417172
ethyl 6-methoxyquinoxaline-2-carboxylate
CID 22917221
1-(6-methoxy-4-methylquinolin-2-yl)ethanone
CID 82576202
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220
ethyl 3-(4-methoxyphenyl)isoquinoline-1-carboxylate
CID 138972364
ethyl 4-fluoroquinoline-2-carboxylate
CID 125473134
ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate
CID 132546432
ethyl 6-[(1,3-dioxoisoindol-2-yl)methyl]-4-(4-methoxyphenyl)pyridine-2-carboxylate
CID 178053172
ethyl 4-bromo-2-naphthalen-2-ylbenzoate
CID 121421560

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate?
The IUPAC name of ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate (CID 132534382) is ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate?
The canonical SMILES for ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate is CCOC(=O)c1cc(-c2ccc3ccccc3c2)c2cc(OC)ccc2n1.
What is the InChIKey of ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate?
The InChIKey is TYJSSYWSOMCKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-3-27-23(25)22-14-19(20-13-18(26-2)10-11-21(20)24-22)17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate?
ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate is sourced from PubChem (CID 132534382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).