(3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol

C30H28N6O — CID 142150124

IUPAC(3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol
SMILESCc1ccc(C(O)(c2ccc3c(c2)c(CCc2cccc(C)c2)cc2nnnn23)c2cncn2C)cc1
InChIInChI=1S/C30H28N6O/c1-20-7-11-24(12-8-20)30(37,28-18-31-19-35(28)3)25-13-14-27-26(17-25)23(16-29-32-33-34-36(27)29)10-9-22-6-4-5-21(2)15-22/h4-8,11-19,37H,9-10H2,1-3H3
InChIKeyLWEHUQMNBUFMPH-UHFFFAOYSA-N
MW488.60 g/mol
LogP4.70
Rot. Bonds6

About (3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol

(3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol (PubChem CID 142150124) has the molecular formula C30H28N6O and a molecular weight of 488.60 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol
PubChem CID142150124
Molecular FormulaC30H28N6O
Molecular Weight488.60 g/mol
Exact Mass488.23
IUPAC Name(3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol
SMILESCc1ccc(C(O)(c2ccc3c(c2)c(CCc2cccc(C)c2)cc2nnnn23)c2cncn2C)cc1
InChIInChI=1S/C30H28N6O/c1-20-7-11-24(12-8-20)30(37,28-18-31-19-35(28)3)25-13-14-27-26(17-25)23(16-29-32-33-34-36(27)29)10-9-22-6-4-5-21(2)15-22/h4-8,11-19,37H,9-10H2,1-3H3
InChIKeyLWEHUQMNBUFMPH-UHFFFAOYSA-N
XLogP4.70
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 58722270
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 23388873
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-[hydroxy-(3-methylimidazol-4-yl)-[4-[(2-phenylethylamino)methyl]phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one
CID 142129164
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methanol
CID 58799363
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-[6-[hydroxy-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)quinolin-2-yl]-3-phenylurea
CID 142129113
6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one
CID 142129215
(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 74220812
4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 25259058
N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine
CID 23388867
4-[3-(2-diethylphosphorylethyl)phenyl]-6-[hydroxy-(3-methylimidazol-4-yl)-(3-methylphenyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 142199576

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol?
The IUPAC name of (3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol (CID 142150124) is (3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol.
What is the SMILES notation for (3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol?
The canonical SMILES for (3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol is Cc1ccc(C(O)(c2ccc3c(c2)c(CCc2cccc(C)c2)cc2nnnn23)c2cncn2C)cc1.
What is the InChIKey of (3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol?
The InChIKey is LWEHUQMNBUFMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O/c1-20-7-11-24(12-8-20)30(37,28-18-31-19-35(28)3)25-13-14-27-26(17-25)23(16-29-32-33-34-36(27)29)10-9-22-6-4-5-21(2)15-22/h4-8,11-19,37H,9-10H2,1-3H3.
What are the key properties of (3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol?
(3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol has a molecular weight of 488.60 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol is sourced from PubChem (CID 142150124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).