N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide

C26H23N5O2 — CID 43813460

IUPACN-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccccc1)Cc1cc2cc(C)ccc2n2nnnc12
InChIInChI=1S/C26H23N5O2/c1-18-12-13-23-20(14-18)15-21(25-27-28-29-31(23)25)17-30(16-19-8-4-3-5-9-19)26(32)22-10-6-7-11-24(22)33-2/h3-15H,16-17H2,1-2H3
InChIKeyHAYJJAQSOGNGOS-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.44
Rot. Bonds6

About N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide

N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide (PubChem CID 43813460) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
PubChem CID43813460
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccccc1)Cc1cc2cc(C)ccc2n2nnnc12
InChIInChI=1S/C26H23N5O2/c1-18-12-13-23-20(14-18)15-21(25-27-28-29-31(23)25)17-30(16-19-8-4-3-5-9-19)26(32)22-10-6-7-11-24(22)33-2/h3-15H,16-17H2,1-2H3
InChIKeyHAYJJAQSOGNGOS-UHFFFAOYSA-N
XLogP4.44
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466456
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1459629
2-chloro-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1466395
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 43813556
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 645364
3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3216762
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 3216780
N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide
CID 43813502
3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1459393
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide
CID 43813555
1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 1466444

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
The IUPAC name of N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide (CID 43813460) is N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide.
What is the SMILES notation for N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
The canonical SMILES for N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide is COc1ccccc1C(=O)N(Cc1ccccc1)Cc1cc2cc(C)ccc2n2nnnc12.
What is the InChIKey of N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
The InChIKey is HAYJJAQSOGNGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-18-12-13-23-20(14-18)15-21(25-27-28-29-31(23)25)17-30(16-19-8-4-3-5-9-19)26(32)22-10-6-7-11-24(22)33-2/h3-15H,16-17H2,1-2H3.
What are the key properties of N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide has a molecular weight of 437.50 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide is sourced from PubChem (CID 43813460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).