3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide

C26H25ClN6O — CID 130424815

IUPAC3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)c(Cl)c(C(=O)NC34CCC(c5nn[nH]n5)(CC3)CC4)c2c1
InChIInChI=1S/C26H25ClN6O/c1-16-7-8-19-18(15-16)20(21(27)22(28-19)17-5-3-2-4-6-17)23(34)29-26-12-9-25(10-13-26,11-14-26)24-30-32-33-31-24/h2-8,15H,9-14H2,1H3,(H,29,34)(H,30,31,32,33)
InChIKeyWPSNLRZADULUQB-UHFFFAOYSA-N
MW472.98 g/mol
LogP5.15
Rot. Bonds4

About 3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide

3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide (PubChem CID 130424815) has the molecular formula C26H25ClN6O and a molecular weight of 472.98 g/mol. Its IUPAC name is 3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide
PubChem CID130424815
Molecular FormulaC26H25ClN6O
Molecular Weight472.98 g/mol
Exact Mass472.18
IUPAC Name3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)c(Cl)c(C(=O)NC34CCC(c5nn[nH]n5)(CC3)CC4)c2c1
InChIInChI=1S/C26H25ClN6O/c1-16-7-8-19-18(15-16)20(21(27)22(28-19)17-5-3-2-4-6-17)23(34)29-26-12-9-25(10-13-26,11-14-26)24-30-32-33-31-24/h2-8,15H,9-14H2,1H3,(H,29,34)(H,30,31,32,33)
InChIKeyWPSNLRZADULUQB-UHFFFAOYSA-N
XLogP5.15
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-[(6-bromo-3-chloro-2-phenylquinoline-4-carbonyl)amino]bicyclo[3.2.2]nonane-1-carboxylate
CID 122551298
6-bromo-3-methyl-N-[4-(3H-1,2,3,5-oxathiadiazol-4-yl)-1-bicyclo[2.2.2]octanyl]-2-phenylquinoline-4-carboxamide
CID 130424882
6-ethynyl-3-methyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-2-phenylquinoline-4-carboxamide
CID 122539423
4-[(6-bromo-3-hydroxy-2-phenylquinoline-4-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 134229672
4-[[6-bromo-2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 122551211
4-[[3-methyl-2-phenyl-6-(trifluoromethylsulfanyl)quinoline-4-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 122551225
N-(1-bicyclo[2.2.2]octanyl)-3-methyl-2-phenyl-6-(trifluoromethylsulfanyl)quinoline-4-carboxamide
CID 122539442
6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide
CID 175017048
3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 16643744
(6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone
CID 46288114
6-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinoline-4-carboxylic acid
CID 19814451
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide?
The IUPAC name of 3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide (CID 130424815) is 3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide.
What is the SMILES notation for 3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide?
The canonical SMILES for 3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide is Cc1ccc2nc(-c3ccccc3)c(Cl)c(C(=O)NC34CCC(c5nn[nH]n5)(CC3)CC4)c2c1.
What is the InChIKey of 3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide?
The InChIKey is WPSNLRZADULUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O/c1-16-7-8-19-18(15-16)20(21(27)22(28-19)17-5-3-2-4-6-17)23(34)29-26-12-9-25(10-13-26,11-14-26)24-30-32-33-31-24/h2-8,15H,9-14H2,1H3,(H,29,34)(H,30,31,32,33).
What are the key properties of 3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide?
3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide has a molecular weight of 472.98 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-2-phenyl-N-[4-(2H-tetrazol-5-yl)-1-bicyclo[2.2.2]octanyl]quinoline-4-carboxamide is sourced from PubChem (CID 130424815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).