6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile

C18H15ClN4O — CID 133316765

IUPAC6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile
SMILESCCOc1cc(CNc2c(C#N)cnc3ccc(Cl)cc23)ccn1
InChIInChI=1S/C18H15ClN4O/c1-2-24-17-7-12(5-6-21-17)10-23-18-13(9-20)11-22-16-4-3-14(19)8-15(16)18/h3-8,11H,2,10H2,1H3,(H,22,23)
InChIKeyNFDLRTXOUJNCGQ-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.17
Rot. Bonds5

About 6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile

6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile (PubChem CID 133316765) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile
PubChem CID133316765
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile
SMILESCCOc1cc(CNc2c(C#N)cnc3ccc(Cl)cc23)ccn1
InChIInChI=1S/C18H15ClN4O/c1-2-24-17-7-12(5-6-21-17)10-23-18-13(9-20)11-22-16-4-3-14(19)8-15(16)18/h3-8,11H,2,10H2,1H3,(H,22,23)
InChIKeyNFDLRTXOUJNCGQ-UHFFFAOYSA-N
XLogP4.17
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile (CID 133316765) is 6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile is CCOc1cc(CNc2c(C#N)cnc3ccc(Cl)cc23)ccn1.
What is the InChIKey of 6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile?
The InChIKey is NFDLRTXOUJNCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-2-24-17-7-12(5-6-21-17)10-23-18-13(9-20)11-22-16-4-3-14(19)8-15(16)18/h3-8,11H,2,10H2,1H3,(H,22,23).
What are the key properties of 6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile?
6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile has a molecular weight of 338.80 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 133316765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).