N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide

C26H22N6O3 — CID 26326986

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide
SMILESCOc1cc(CNC(=O)c2cc(-c3cccc4cccnc34)cc(-n3cnnn3)c2)cc(OC)c1
InChIInChI=1S/C26H22N6O3/c1-34-22-9-17(10-23(14-22)35-2)15-28-26(33)20-11-19(12-21(13-20)32-16-29-30-31-32)24-7-3-5-18-6-4-8-27-25(18)24/h3-14,16H,15H2,1-2H3,(H,28,33)
InChIKeyHMWOTKIRSVWBAI-UHFFFAOYSA-N
MW466.50 g/mol
LogP3.82
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide

N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide (PubChem CID 26326986) has the molecular formula C26H22N6O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide
PubChem CID26326986
Molecular FormulaC26H22N6O3
Molecular Weight466.50 g/mol
Exact Mass466.18
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide
SMILESCOc1cc(CNC(=O)c2cc(-c3cccc4cccnc34)cc(-n3cnnn3)c2)cc(OC)c1
InChIInChI=1S/C26H22N6O3/c1-34-22-9-17(10-23(14-22)35-2)15-28-26(33)20-11-19(12-21(13-20)32-16-29-30-31-32)24-7-3-5-18-6-4-8-27-25(18)24/h3-14,16H,15H2,1-2H3,(H,28,33)
InChIKeyHMWOTKIRSVWBAI-UHFFFAOYSA-N
XLogP3.82
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950
3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25255134
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42212306
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252796
3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 122640774
N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76643004
N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016
methyl 3-quinolin-8-ylbenzoate
CID 4189037
3-(4-methoxy-2-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316601
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 4155435

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide (CID 26326986) is N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide is COc1cc(CNC(=O)c2cc(-c3cccc4cccnc34)cc(-n3cnnn3)c2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide?
The InChIKey is HMWOTKIRSVWBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3/c1-34-22-9-17(10-23(14-22)35-2)15-28-26(33)20-11-19(12-21(13-20)32-16-29-30-31-32)24-7-3-5-18-6-4-8-27-25(18)24/h3-14,16H,15H2,1-2H3,(H,28,33).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide?
N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide has a molecular weight of 466.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 26326986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).