2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile

C14H13Cl2N3 — CID 82251245

IUPAC2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile
SMILESCc1nc2c(Cl)ccc(Cl)c2c(N(C)C)c1CC#N
InChIInChI=1S/C14H13Cl2N3/c1-8-9(6-7-17)14(19(2)3)12-10(15)4-5-11(16)13(12)18-8/h4-5H,6H2,1-3H3
InChIKeyOEEGUHHQWUUFON-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.98
Rot. Bonds2

About 2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile

2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile (PubChem CID 82251245) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile
PubChem CID82251245
Molecular FormulaC14H13Cl2N3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile
SMILESCc1nc2c(Cl)ccc(Cl)c2c(N(C)C)c1CC#N
InChIInChI=1S/C14H13Cl2N3/c1-8-9(6-7-17)14(19(2)3)12-10(15)4-5-11(16)13(12)18-8/h4-5H,6H2,1-3H3
InChIKeyOEEGUHHQWUUFON-UHFFFAOYSA-N
XLogP3.98
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile?
The IUPAC name of 2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile (CID 82251245) is 2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile.
What is the SMILES notation for 2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile?
The canonical SMILES for 2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile is Cc1nc2c(Cl)ccc(Cl)c2c(N(C)C)c1CC#N.
What is the InChIKey of 2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile?
The InChIKey is OEEGUHHQWUUFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3/c1-8-9(6-7-17)14(19(2)3)12-10(15)4-5-11(16)13(12)18-8/h4-5H,6H2,1-3H3.
What are the key properties of 2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile?
2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile has a molecular weight of 294.19 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,8-dichloro-4-(dimethylamino)-2-methylquinolin-3-yl]acetonitrile is sourced from PubChem (CID 82251245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).