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

C21H17N5O2S — CID 645364

IUPACN-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)c1ccco1)c1nnnn12
InChIInChI=1S/C21H17N5O2S/c1-14-6-7-18-15(10-14)11-16(20-22-23-24-26(18)20)12-25(13-17-4-3-9-29-17)21(27)19-5-2-8-28-19/h2-11H,12-13H2,1H3
InChIKeyNEYCEAIAAOVHRP-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.08
Rot. Bonds5

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

N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (PubChem CID 645364) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
PubChem CID645364
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC NameN-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)c1ccco1)c1nnnn12
InChIInChI=1S/C21H17N5O2S/c1-14-6-7-18-15(10-14)11-16(20-22-23-24-26(18)20)12-25(13-17-4-3-9-29-17)21(27)19-5-2-8-28-19/h2-11H,12-13H2,1H3
InChIKeyNEYCEAIAAOVHRP-UHFFFAOYSA-N
XLogP4.08
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 1466444
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
CID 3216778
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 1466402
N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466456
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
N-(2-methoxyethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
CID 3227710
2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 1459552
N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 43813460
N,N-bis(thiophen-2-ylmethyl)furan-2-carboxamide
CID 60682593
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459597
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide
CID 1466271
3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3216762

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (CID 645364) is N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is Cc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)c1ccco1)c1nnnn12.
What is the InChIKey of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The InChIKey is NEYCEAIAAOVHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c1-14-6-7-18-15(10-14)11-16(20-22-23-24-26(18)20)12-25(13-17-4-3-9-29-17)21(27)19-5-2-8-28-19/h2-11H,12-13H2,1H3.
What are the key properties of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide has a molecular weight of 403.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 645364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).