2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium

C21H23ClN3O+ — CID 2220589

IUPAC2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
SMILESCc1c(Cl)ccc2c(C(=O)NCC[NH+](C)C)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H22ClN3O/c1-14-18(22)10-9-16-17(21(26)23-11-12-25(2)3)13-19(24-20(14)16)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,23,26)/p+1
InChIKeyMRRUYWXOHURUBB-UHFFFAOYSA-O
MW368.89 g/mol
LogP2.74
Rot. Bonds5

About 2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium

2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium (PubChem CID 2220589) has the molecular formula C21H23ClN3O+ and a molecular weight of 368.89 g/mol. Its IUPAC name is 2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
PubChem CID2220589
Molecular FormulaC21H23ClN3O+
Molecular Weight368.89 g/mol
Exact Mass368.15
IUPAC Name2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
SMILESCc1c(Cl)ccc2c(C(=O)NCC[NH+](C)C)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H22ClN3O/c1-14-18(22)10-9-16-17(21(26)23-11-12-25(2)3)13-19(24-20(14)16)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,23,26)/p+1
InChIKeyMRRUYWXOHURUBB-UHFFFAOYSA-O
XLogP2.74
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 17368895
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 3769705
7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide
CID 17372346
7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2220481
N-(2-hydroxyethyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 5033603
7-chloro-N-ethyl-8-methyl-2-phenylquinolin-4-amine
CID 63479901
N-[2-(dimethylamino)ethyl]-2-phenylbenzo[h]quinoline-4-carboxamide
CID 155517784
(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17372354
N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide
CID 17372353
2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 7472552
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium?
The IUPAC name of 2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium (CID 2220589) is 2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium is Cc1c(Cl)ccc2c(C(=O)NCC[NH+](C)C)cc(-c3ccccc3)nc12.
What is the InChIKey of 2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium?
The InChIKey is MRRUYWXOHURUBB-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22ClN3O/c1-14-18(22)10-9-16-17(21(26)23-11-12-25(2)3)13-19(24-20(14)16)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,23,26)/p+1.
What are the key properties of 2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium?
2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium has a molecular weight of 368.89 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium is sourced from PubChem (CID 2220589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).