4-chloro-6,7-diethoxyquinoline-3-carbonitrile

C14H13ClN2O2 — CID 10778872

IUPAC4-chloro-6,7-diethoxyquinoline-3-carbonitrile
SMILESCCOc1cc2ncc(C#N)c(Cl)c2cc1OCC
InChIInChI=1S/C14H13ClN2O2/c1-3-18-12-5-10-11(6-13(12)19-4-2)17-8-9(7-16)14(10)15/h5-6,8H,3-4H2,1-2H3
InChIKeyHRMLDEXYPNWNSJ-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.56
Rot. Bonds4

About 4-chloro-6,7-diethoxyquinoline-3-carbonitrile

4-chloro-6,7-diethoxyquinoline-3-carbonitrile (PubChem CID 10778872) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-6,7-diethoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-6,7-diethoxyquinoline-3-carbonitrile
PubChem CID10778872
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-6,7-diethoxyquinoline-3-carbonitrile
SMILESCCOc1cc2ncc(C#N)c(Cl)c2cc1OCC
InChIInChI=1S/C14H13ClN2O2/c1-3-18-12-5-10-11(6-13(12)19-4-2)17-8-9(7-16)14(10)15/h5-6,8H,3-4H2,1-2H3
InChIKeyHRMLDEXYPNWNSJ-UHFFFAOYSA-N
XLogP3.56
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile
CID 143338014
4-chloro-7-(4-chlorobutoxy)-6-methoxyquinoline-3-carbonitrile
CID 11727096
4-[(3,4-dichlorophenyl)methylamino]-6,7-diethoxyquinoline-3-carbonitrile
CID 10136640
4-chloro-7-(3-chloropropyl)-6-methoxyquinoline-3-carbonitrile
CID 141337550
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) acetate
CID 59164220
6-amino-7-ethoxy-4-methylquinoline-3-carbonitrile
CID 89103315
4-chloro-6,7-dihydroxyquinoline-3-carbonitrile
CID 135742179
4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene
CID 142362259
(4-chloro-3-cyano-7-hydroxyquinolin-6-yl) acetate
CID 136614427
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) 2,2-dimethylpropanoate
CID 141337524
4-chloro-6-nitro-7-propan-2-yloxyquinoline-3-carbonitrile
CID 71425068
4-chloro-6-(diethylamino)quinoline-3-carbonitrile
CID 63180357

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-diethoxyquinoline-3-carbonitrile?
The IUPAC name of 4-chloro-6,7-diethoxyquinoline-3-carbonitrile (CID 10778872) is 4-chloro-6,7-diethoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-chloro-6,7-diethoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-chloro-6,7-diethoxyquinoline-3-carbonitrile is CCOc1cc2ncc(C#N)c(Cl)c2cc1OCC.
What is the InChIKey of 4-chloro-6,7-diethoxyquinoline-3-carbonitrile?
The InChIKey is HRMLDEXYPNWNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-3-18-12-5-10-11(6-13(12)19-4-2)17-8-9(7-16)14(10)15/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6,7-diethoxyquinoline-3-carbonitrile?
4-chloro-6,7-diethoxyquinoline-3-carbonitrile has a molecular weight of 276.72 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-diethoxyquinoline-3-carbonitrile is sourced from PubChem (CID 10778872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).