2-naphthalen-1-ylethyl quinoline-4-carboxylate

C22H17NO2 — CID 127257422

IUPAC2-naphthalen-1-ylethyl quinoline-4-carboxylate
SMILESO=C(OCCc1cccc2ccccc12)c1ccnc2ccccc12
InChIInChI=1S/C22H17NO2/c24-22(20-12-14-23-21-11-4-3-10-19(20)21)25-15-13-17-8-5-7-16-6-1-2-9-18(16)17/h1-12,14H,13,15H2
InChIKeyKZGACXHSFCTUDR-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.79
Rot. Bonds4

About 2-naphthalen-1-ylethyl quinoline-4-carboxylate

2-naphthalen-1-ylethyl quinoline-4-carboxylate (PubChem CID 127257422) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-naphthalen-1-ylethyl quinoline-4-carboxylate.

Molecular Properties

Compound Name2-naphthalen-1-ylethyl quinoline-4-carboxylate
PubChem CID127257422
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2-naphthalen-1-ylethyl quinoline-4-carboxylate
SMILESO=C(OCCc1cccc2ccccc12)c1ccnc2ccccc12
InChIInChI=1S/C22H17NO2/c24-22(20-12-14-23-21-11-4-3-10-19(20)21)25-15-13-17-8-5-7-16-6-1-2-9-18(16)17/h1-12,14H,13,15H2
InChIKeyKZGACXHSFCTUDR-UHFFFAOYSA-N
XLogP4.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethenoxyethyl quinoline-4-carboxylate
CID 75521590
2-pyridin-3-ylethyl quinoline-4-carboxylate
CID 127257423
2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 167848247
2-naphthalen-1-ylethyl acetate
CID 592920
2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate
CID 167926705
2-(2-quinolin-4-ylethyl)benzohydrazide
CID 70948892
2-naphthalen-1-ylethyl 4-cyanobenzoate
CID 10518392
3-quinolin-5-ylpropanoic acid
CID 81224223
2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate
CID 158105320
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate
CID 55562613
1-quinolin-4-ylbut-3-yn-1-one
CID 105076388
2-octoxycarbonyl-6-octylbenzoic acid;quinoline
CID 174950139

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylethyl quinoline-4-carboxylate?
The IUPAC name of 2-naphthalen-1-ylethyl quinoline-4-carboxylate (CID 127257422) is 2-naphthalen-1-ylethyl quinoline-4-carboxylate.
What is the SMILES notation for 2-naphthalen-1-ylethyl quinoline-4-carboxylate?
The canonical SMILES for 2-naphthalen-1-ylethyl quinoline-4-carboxylate is O=C(OCCc1cccc2ccccc12)c1ccnc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylethyl quinoline-4-carboxylate?
The InChIKey is KZGACXHSFCTUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-22(20-12-14-23-21-11-4-3-10-19(20)21)25-15-13-17-8-5-7-16-6-1-2-9-18(16)17/h1-12,14H,13,15H2.
What are the key properties of 2-naphthalen-1-ylethyl quinoline-4-carboxylate?
2-naphthalen-1-ylethyl quinoline-4-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylethyl quinoline-4-carboxylate is sourced from PubChem (CID 127257422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).