quinolin-7-yl quinoline-7-carboxylate

C19H12N2O2 — CID 142797869

IUPACquinolin-7-yl quinoline-7-carboxylate
SMILESO=C(Oc1ccc2cccnc2c1)c1ccc2cccnc2c1
InChIInChI=1S/C19H12N2O2/c22-19(15-6-5-13-3-1-9-20-17(13)11-15)23-16-8-7-14-4-2-10-21-18(14)12-16/h1-12H
InChIKeyWEQRTYYWEFDJHN-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.00
Rot. Bonds2

About quinolin-7-yl quinoline-7-carboxylate

quinolin-7-yl quinoline-7-carboxylate (PubChem CID 142797869) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is quinolin-7-yl quinoline-7-carboxylate.

Molecular Properties

Compound Namequinolin-7-yl quinoline-7-carboxylate
PubChem CID142797869
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Namequinolin-7-yl quinoline-7-carboxylate
SMILESO=C(Oc1ccc2cccnc2c1)c1ccc2cccnc2c1
InChIInChI=1S/C19H12N2O2/c22-19(15-6-5-13-3-1-9-20-17(13)11-15)23-16-8-7-14-4-2-10-21-18(14)12-16/h1-12H
InChIKeyWEQRTYYWEFDJHN-UHFFFAOYSA-N
XLogP4.00
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

quinolin-7-yl N,N-dimethylcarbamate
CID 11218314
1-(4-quinolin-7-yloxyphenyl)ethanone
CID 107313857
quinolin-7-yl N,N-diethylcarbamate
CID 11334036
1-(methylamino)ethyl quinoline-7-carboxylate
CID 141347103
(1-aminocyclopentyl)-quinolin-7-ylmethanone
CID 116558749
1-quinolin-7-ylprop-2-en-1-one
CID 103453564
(E)-3-amino-2-hydrazinyl-3-quinolin-7-yloxyprop-2-enoic acid
CID 142617718
7-(dichloromethoxy)quinoline
CID 174788382
(3,4-dichlorophenyl) naphthalene-2-carboxylate
CID 7959552
(4-aminophenyl)-quinolin-7-ylmethanone
CID 116548753
3-chloro-4-quinolin-7-yloxybenzoic acid
CID 107314076
(5-methylfuran-3-yl)-quinolin-7-ylmethanone
CID 115790931

Frequently Asked Questions

What is the IUPAC name of quinolin-7-yl quinoline-7-carboxylate?
The IUPAC name of quinolin-7-yl quinoline-7-carboxylate (CID 142797869) is quinolin-7-yl quinoline-7-carboxylate.
What is the SMILES notation for quinolin-7-yl quinoline-7-carboxylate?
The canonical SMILES for quinolin-7-yl quinoline-7-carboxylate is O=C(Oc1ccc2cccnc2c1)c1ccc2cccnc2c1.
What is the InChIKey of quinolin-7-yl quinoline-7-carboxylate?
The InChIKey is WEQRTYYWEFDJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c22-19(15-6-5-13-3-1-9-20-17(13)11-15)23-16-8-7-14-4-2-10-21-18(14)12-16/h1-12H.
What are the key properties of quinolin-7-yl quinoline-7-carboxylate?
quinolin-7-yl quinoline-7-carboxylate has a molecular weight of 300.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-7-yl quinoline-7-carboxylate is sourced from PubChem (CID 142797869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).