N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide

C28H20Cl2FN7O — CID 23388904

IUPACN-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)(c1ccc(F)cc1Cl)c1cncn1C
InChIInChI=1S/C28H20Cl2FN7O/c1-16(39)33-28(26-14-32-15-37(26)2,23-8-7-20(31)12-24(23)30)18-6-9-25-22(11-18)21(13-27-34-35-36-38(25)27)17-4-3-5-19(29)10-17/h3-15H,1-2H3,(H,33,39)
InChIKeyXLSMOYBDBWEHNM-UHFFFAOYSA-N
MW560.42 g/mol
LogP5.55
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide

N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide (PubChem CID 23388904) has the molecular formula C28H20Cl2FN7O and a molecular weight of 560.42 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide
PubChem CID23388904
Molecular FormulaC28H20Cl2FN7O
Molecular Weight560.42 g/mol
Exact Mass559.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)(c1ccc(F)cc1Cl)c1cncn1C
InChIInChI=1S/C28H20Cl2FN7O/c1-16(39)33-28(26-14-32-15-37(26)2,23-8-7-20(31)12-24(23)30)18-6-9-25-22(11-18)21(13-27-34-35-36-38(25)27)17-4-3-5-19(29)10-17/h3-15H,1-2H3,(H,33,39)
InChIKeyXLSMOYBDBWEHNM-UHFFFAOYSA-N
XLogP5.55
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.42
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide
CID 23388870
1-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]-3-(1-naphthalen-1-ylethyl)urea
CID 23388883
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol
CID 10300971
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 23388873
N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine
CID 23388867
7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)imidazo[1,2-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 158101460
1-benzothiophen-2-yl-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 58824269
4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 22465424
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 11592576
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol
CID 22048468
6-[amino-(3-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;dimethylphosphorylmethane
CID 91416842

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide (CID 23388904) is N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide is CC(=O)NC(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)(c1ccc(F)cc1Cl)c1cncn1C.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide?
The InChIKey is XLSMOYBDBWEHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2FN7O/c1-16(39)33-28(26-14-32-15-37(26)2,23-8-7-20(31)12-24(23)30)18-6-9-25-22(11-18)21(13-27-34-35-36-38(25)27)17-4-3-5-19(29)10-17/h3-15H,1-2H3,(H,33,39).
What are the key properties of N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide?
N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide has a molecular weight of 560.42 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide is sourced from PubChem (CID 23388904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).