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

C21H21N5O3 — CID 1466402

IUPACN-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
SMILESCc1ccc2c(c1)cc(CN(C[C@@H]1CCCO1)C(=O)c1ccco1)c1nnnn12
InChIInChI=1S/C21H21N5O3/c1-14-6-7-18-15(10-14)11-16(20-22-23-24-26(18)20)12-25(13-17-4-2-8-28-17)21(27)19-5-3-9-29-19/h3,5-7,9-11,17H,2,4,8,12-13H2,1H3/t17-/m0/s1
InChIKeyLBHNZMVSJOCIAA-KRWDZBQOSA-N
MW391.43 g/mol
LogP3.00
Rot. Bonds5

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

N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide (PubChem CID 1466402) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
PubChem CID1466402
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
SMILESCc1ccc2c(c1)cc(CN(C[C@@H]1CCCO1)C(=O)c1ccco1)c1nnnn12
InChIInChI=1S/C21H21N5O3/c1-14-6-7-18-15(10-14)11-16(20-22-23-24-26(18)20)12-25(13-17-4-2-8-28-17)21(27)19-5-3-9-29-19/h3,5-7,9-11,17H,2,4,8,12-13H2,1H3/t17-/m0/s1
InChIKeyLBHNZMVSJOCIAA-KRWDZBQOSA-N
XLogP3.00
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 3216740
2-chloro-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1466395
3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3216762
3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 51686396
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 645364
N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3216808
1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 7442680
N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466456
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 1466234
3-(4-fluorophenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 51685233
3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 1466242
3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 1459509

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide (CID 1466402) is N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide is Cc1ccc2c(c1)cc(CN(C[C@@H]1CCCO1)C(=O)c1ccco1)c1nnnn12.
What is the InChIKey of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide?
The InChIKey is LBHNZMVSJOCIAA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14-6-7-18-15(10-14)11-16(20-22-23-24-26(18)20)12-25(13-17-4-2-8-28-17)21(27)19-5-3-9-29-19/h3,5-7,9-11,17H,2,4,8,12-13H2,1H3/t17-/m0/s1.
What are the key properties of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide?
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.00, 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-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 1466402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).