6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile

C14H13ClN2 — CID 82449599

IUPAC6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile
SMILESCc1cc(Cl)cc2c(C#N)cc(C(C)C)nc12
InChIInChI=1S/C14H13ClN2/c1-8(2)13-5-10(7-16)12-6-11(15)4-9(3)14(12)17-13/h4-6,8H,1-3H3
InChIKeyLDSZTKAQRUQGJF-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.19
Rot. Bonds1

About 6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile

6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile (PubChem CID 82449599) has the molecular formula C14H13ClN2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile
PubChem CID82449599
Molecular FormulaC14H13ClN2
Molecular Weight244.72 g/mol
Exact Mass244.08
IUPAC Name6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile
SMILESCc1cc(Cl)cc2c(C#N)cc(C(C)C)nc12
InChIInChI=1S/C14H13ClN2/c1-8(2)13-5-10(7-16)12-6-11(15)4-9(3)14(12)17-13/h4-6,8H,1-3H3
InChIKeyLDSZTKAQRUQGJF-UHFFFAOYSA-N
XLogP4.19
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile?
The IUPAC name of 6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile (CID 82449599) is 6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile is Cc1cc(Cl)cc2c(C#N)cc(C(C)C)nc12.
What is the InChIKey of 6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile?
The InChIKey is LDSZTKAQRUQGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c1-8(2)13-5-10(7-16)12-6-11(15)4-9(3)14(12)17-13/h4-6,8H,1-3H3.
What are the key properties of 6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile?
6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile has a molecular weight of 244.72 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile is sourced from PubChem (CID 82449599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).