5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile

C13H10Cl2N2 — CID 82449450

IUPAC5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile
SMILESCC(C)c1cc(C#N)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C13H10Cl2N2/c1-7(2)11-3-8(6-16)13-10(15)4-9(14)5-12(13)17-11/h3-5,7H,1-2H3
InChIKeyBNSIDKZBWJGBIT-UHFFFAOYSA-N
MW265.14 g/mol
LogP4.54
Rot. Bonds1

About 5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile

5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile (PubChem CID 82449450) has the molecular formula C13H10Cl2N2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile.

Molecular Properties

Compound Name5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile
PubChem CID82449450
Molecular FormulaC13H10Cl2N2
Molecular Weight265.14 g/mol
Exact Mass264.02
IUPAC Name5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile
SMILESCC(C)c1cc(C#N)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C13H10Cl2N2/c1-7(2)11-3-8(6-16)13-10(15)4-9(14)5-12(13)17-11/h3-5,7H,1-2H3
InChIKeyBNSIDKZBWJGBIT-UHFFFAOYSA-N
XLogP4.54
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile
CID 82449599
4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline
CID 79049927
5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine
CID 62913846
2,8-di(propan-2-yl)quinoline-4-carbonitrile
CID 82448066
2,3,5-trichlorobenzonitrile
CID 19800061
8-methoxy-2-propan-2-ylquinoline-4-carbonitrile
CID 82449685
6,8-dichloro-2-methylquinoline-4-carbonitrile
CID 82449362
2-bromo-5,7-dichloro-4-methylquinoline
CID 82581017
4,5,6,8-tetrachloro-2-propan-2-ylquinoline
CID 43668528
2-(1-hydroxypropyl)quinoline-4-carbonitrile
CID 119091572
2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)acetonitrile
CID 82448654
2-chloro-4-propan-2-ylbenzonitrile
CID 59856292

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile?
The IUPAC name of 5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile (CID 82449450) is 5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile.
What is the SMILES notation for 5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile?
The canonical SMILES for 5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile is CC(C)c1cc(C#N)c2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of 5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile?
The InChIKey is BNSIDKZBWJGBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2/c1-7(2)11-3-8(6-16)13-10(15)4-9(14)5-12(13)17-11/h3-5,7H,1-2H3.
What are the key properties of 5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile?
5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile has a molecular weight of 265.14 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-propan-2-ylquinoline-4-carbonitrile is sourced from PubChem (CID 82449450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).