5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile

C13H12ClN3 — CID 62188504

IUPAC5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2c(C)ccc(Cl)c12
InChIInChI=1S/C13H12ClN3/c1-3-16-13-9(6-15)7-17-12-8(2)4-5-10(14)11(12)13/h4-5,7H,3H2,1-2H3,(H,16,17)
InChIKeyGIHQLDGCQZYHCR-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.50
Rot. Bonds2

About 5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile

5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile (PubChem CID 62188504) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile
PubChem CID62188504
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2c(C)ccc(Cl)c12
InChIInChI=1S/C13H12ClN3/c1-3-16-13-9(6-15)7-17-12-8(2)4-5-10(14)11(12)13/h4-5,7H,3H2,1-2H3,(H,16,17)
InChIKeyGIHQLDGCQZYHCR-UHFFFAOYSA-N
XLogP3.50
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile?
The IUPAC name of 5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile (CID 62188504) is 5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile is CCNc1c(C#N)cnc2c(C)ccc(Cl)c12.
What is the InChIKey of 5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile?
The InChIKey is GIHQLDGCQZYHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c1-3-16-13-9(6-15)7-17-12-8(2)4-5-10(14)11(12)13/h4-5,7H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile?
5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile has a molecular weight of 245.71 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 62188504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).