(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol

C27H21ClN6O — CID 23388873

IUPAC(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
SMILESCc1cccc(-c2cc3nnnn3c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C27H21ClN6O/c1-17-4-3-5-18(12-17)22-14-26-30-31-32-34(26)24-11-8-20(13-23(22)24)27(35,25-15-29-16-33(25)2)19-6-9-21(28)10-7-19/h3-16,35H,1-2H3
InChIKeyWWUHBIYTEAEUEC-UHFFFAOYSA-N
MW480.96 g/mol
LogP4.92
Rot. Bonds4

About (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol

(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol (PubChem CID 23388873) has the molecular formula C27H21ClN6O and a molecular weight of 480.96 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
PubChem CID23388873
Molecular FormulaC27H21ClN6O
Molecular Weight480.96 g/mol
Exact Mass480.15
IUPAC Name(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
SMILESCc1cccc(-c2cc3nnnn3c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C27H21ClN6O/c1-17-4-3-5-18(12-17)22-14-26-30-31-32-34(26)24-11-8-20(13-23(22)24)27(35,25-15-29-16-33(25)2)19-6-9-21(28)10-7-19/h3-16,35H,1-2H3
InChIKeyWWUHBIYTEAEUEC-UHFFFAOYSA-N
XLogP4.92
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 54.92
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
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 58722270
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol
CID 10300971
(3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 142150124
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
N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide
CID 23388904
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
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;methane
CID 143910641
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methyl-4-pyridinyl)quinolin-2-one
CID 70942774
N-[[4-[hydroxy-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinazolin-7-yl]methyl]phenyl]methyl]-N-methyl-N'-(methylideneamino)methanimidamide
CID 142129172
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one
CID 46237411
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol
CID 58799295

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol?
The IUPAC name of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol (CID 23388873) is (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol is Cc1cccc(-c2cc3nnnn3c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.
What is the InChIKey of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol?
The InChIKey is WWUHBIYTEAEUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN6O/c1-17-4-3-5-18(12-17)22-14-26-30-31-32-34(26)24-11-8-20(13-23(22)24)27(35,25-15-29-16-33(25)2)19-6-9-21(28)10-7-19/h3-16,35H,1-2H3.
What are the key properties of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol?
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol has a molecular weight of 480.96 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol is sourced from PubChem (CID 23388873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).