5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile

C14H14ClN3O2 — CID 62188508

IUPAC5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2c(OC)cc(OC)c(Cl)c12
InChIInChI=1S/C14H14ClN3O2/c1-4-17-13-8(6-16)7-18-14-10(20-3)5-9(19-2)12(15)11(13)14/h5,7H,4H2,1-3H3,(H,17,18)
InChIKeyLGXWKBDOPPVOMD-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.21
Rot. Bonds4

About 5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile

5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile (PubChem CID 62188508) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile
PubChem CID62188508
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2c(OC)cc(OC)c(Cl)c12
InChIInChI=1S/C14H14ClN3O2/c1-4-17-13-8(6-16)7-18-14-10(20-3)5-9(19-2)12(15)11(13)14/h5,7H,4H2,1-3H3,(H,17,18)
InChIKeyLGXWKBDOPPVOMD-UHFFFAOYSA-N
XLogP3.21
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile?
The IUPAC name of 5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile (CID 62188508) is 5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile.
What is the SMILES notation for 5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile?
The canonical SMILES for 5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile is CCNc1c(C#N)cnc2c(OC)cc(OC)c(Cl)c12.
What is the InChIKey of 5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile?
The InChIKey is LGXWKBDOPPVOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-4-17-13-8(6-16)7-18-14-10(20-3)5-9(19-2)12(15)11(13)14/h5,7H,4H2,1-3H3,(H,17,18).
What are the key properties of 5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile?
5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile has a molecular weight of 291.74 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile is sourced from PubChem (CID 62188508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).