9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide

C25H19Cl2N3O — CID 143659609

IUPAC9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3ccccc3n2)cc[nH]c(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C25H19Cl2N3O/c1-16-9-10-18(13-14-28-22(15-16)24-19(26)6-4-7-20(24)27)25(31)30-23-12-11-17-5-2-3-8-21(17)29-23/h2-15,28H,1H3,(H,29,30,31)/b14-13-,16-9-,18-10+,22-15-
InChIKeyKDWGVPUFTGCKGZ-RLNULVSASA-N
MW448.35 g/mol
LogP7.22
Rot. Bonds3

About 9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide

9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide (PubChem CID 143659609) has the molecular formula C25H19Cl2N3O and a molecular weight of 448.35 g/mol. Its IUPAC name is 9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide.

Molecular Properties

Compound Name9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide
PubChem CID143659609
Molecular FormulaC25H19Cl2N3O
Molecular Weight448.35 g/mol
Exact Mass447.09
IUPAC Name9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3ccccc3n2)cc[nH]c(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C25H19Cl2N3O/c1-16-9-10-18(13-14-28-22(15-16)24-19(26)6-4-7-20(24)27)25(31)30-23-12-11-17-5-2-3-8-21(17)29-23/h2-15,28H,1H3,(H,29,30,31)/b14-13-,16-9-,18-10+,22-15-
InChIKeyKDWGVPUFTGCKGZ-RLNULVSASA-N
XLogP7.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.35
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide?
The IUPAC name of 9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide (CID 143659609) is 9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide.
What is the SMILES notation for 9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide?
The canonical SMILES for 9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide is Cc1ccc(C(=O)Nc2ccc3ccccc3n2)cc[nH]c(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide?
The InChIKey is KDWGVPUFTGCKGZ-RLNULVSASA-N. The full InChI is InChI=1S/C25H19Cl2N3O/c1-16-9-10-18(13-14-28-22(15-16)24-19(26)6-4-7-20(24)27)25(31)30-23-12-11-17-5-2-3-8-21(17)29-23/h2-15,28H,1H3,(H,29,30,31)/b14-13-,16-9-,18-10+,22-15-.
What are the key properties of 9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide?
9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide has a molecular weight of 448.35 g/mol, XLogP of 7.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide is sourced from PubChem (CID 143659609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).