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

C23H19N5O2 — CID 1466456

IUPACN-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
SMILESCc1ccc2c(c1)cc(CN(Cc1ccco1)C(=O)c1ccccc1)c1nnnn12
InChIInChI=1S/C23H19N5O2/c1-16-9-10-21-18(12-16)13-19(22-24-25-26-28(21)22)14-27(15-20-8-5-11-30-20)23(29)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3
InChIKeyLSFILJNTIJZUAD-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.02
Rot. Bonds5

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

N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide (PubChem CID 1466456) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
PubChem CID1466456
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
SMILESCc1ccc2c(c1)cc(CN(Cc1ccco1)C(=O)c1ccccc1)c1nnnn12
InChIInChI=1S/C23H19N5O2/c1-16-9-10-21-18(12-16)13-19(22-24-25-26-28(21)22)14-27(15-20-8-5-11-30-20)23(29)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3
InChIKeyLSFILJNTIJZUAD-UHFFFAOYSA-N
XLogP4.02
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.02
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-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 645364
N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 43813460
N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 856823
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 1466402
1-cyclohexyl-3-(furan-2-ylmethyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 6498522
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 43813556
1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 1466444
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1459629
N-(2-methoxyethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
CID 3227710
N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466226
N-[(4-methylphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466295

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide (CID 1466456) is N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide is Cc1ccc2c(c1)cc(CN(Cc1ccco1)C(=O)c1ccccc1)c1nnnn12.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
The InChIKey is LSFILJNTIJZUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-16-9-10-21-18(12-16)13-19(22-24-25-26-28(21)22)14-27(15-20-8-5-11-30-20)23(29)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide has a molecular weight of 397.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide is sourced from PubChem (CID 1466456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).