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

C29H25ClN6O — CID 58722270

IUPAC(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol
SMILESCc1cccc(CCc2cc3nnnn3c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C29H25ClN6O/c1-19-4-3-5-20(14-19)6-7-21-15-28-32-33-34-36(28)26-13-10-23(16-25(21)26)29(37,27-17-31-18-35(27)2)22-8-11-24(30)12-9-22/h3-5,8-18,37H,6-7H2,1-2H3
InChIKeyPFIPCRRZRJIYQT-UHFFFAOYSA-N
MW509.01 g/mol
LogP5.04
Rot. Bonds6

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

(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol (PubChem CID 58722270) has the molecular formula C29H25ClN6O and a molecular weight of 509.01 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol
PubChem CID58722270
Molecular FormulaC29H25ClN6O
Molecular Weight509.01 g/mol
Exact Mass508.18
IUPAC Name(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol
SMILESCc1cccc(CCc2cc3nnnn3c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C29H25ClN6O/c1-19-4-3-5-20(14-19)6-7-21-15-28-32-33-34-36(28)26-13-10-23(16-25(21)26)29(37,27-17-31-18-35(27)2)22-8-11-24(30)12-9-22/h3-5,8-18,37H,6-7H2,1-2H3
InChIKeyPFIPCRRZRJIYQT-UHFFFAOYSA-N
XLogP5.04
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.01
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 142150124
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 23388873
N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide
CID 23388870
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol
CID 10300971
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol
CID 58799295
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-[[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
(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
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methanol
CID 58799363
N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine
CID 23388867
[3-benzyl-4-chloro-2-(diethylamino)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 149214140

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol?
The IUPAC name of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol (CID 58722270) is (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol is Cc1cccc(CCc2cc3nnnn3c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.
What is the InChIKey of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol?
The InChIKey is PFIPCRRZRJIYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN6O/c1-19-4-3-5-20(14-19)6-7-21-15-28-32-33-34-36(28)26-13-10-23(16-25(21)26)29(37,27-17-31-18-35(27)2)22-8-11-24(30)12-9-22/h3-5,8-18,37H,6-7H2,1-2H3.
What are the key properties of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol?
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol has a molecular weight of 509.01 g/mol, XLogP of 5.04, 6 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-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol is sourced from PubChem (CID 58722270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).