3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide

C22H29N5O2 — CID 1466242

IUPAC3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESCc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)CC(C)(C)C)c3nnnn3c12
InChIInChI=1S/C22H29N5O2/c1-15-7-5-8-16-11-17(21-23-24-25-27(21)20(15)16)13-26(14-18-9-6-10-29-18)19(28)12-22(2,3)4/h5,7-8,11,18H,6,9-10,12-14H2,1-4H3/t18-/m1/s1
InChIKeyLPDAKROJIUQHAI-GOSISDBHSA-N
MW395.51 g/mol
LogP3.53
Rot. Bonds5

About 3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide

3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide (PubChem CID 1466242) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
PubChem CID1466242
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESCc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)CC(C)(C)C)c3nnnn3c12
InChIInChI=1S/C22H29N5O2/c1-15-7-5-8-16-11-17(21-23-24-25-27(21)20(15)16)13-26(14-18-9-6-10-29-18)19(28)12-22(2,3)4/h5,7-8,11,18H,6,9-10,12-14H2,1-4H3/t18-/m1/s1
InChIKeyLPDAKROJIUQHAI-GOSISDBHSA-N
XLogP3.53
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 1466234
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 3216740
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1459588
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1466231
2-chloro-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1466395
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 1466402
N-[(2-methoxyphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide
CID 1466331
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide
CID 1466271
3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 51686396
3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3216762
N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide
CID 3216736
N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3216808

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide (CID 1466242) is 3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide is Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)CC(C)(C)C)c3nnnn3c12.
What is the InChIKey of 3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The InChIKey is LPDAKROJIUQHAI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-15-7-5-8-16-11-17(21-23-24-25-27(21)20(15)16)13-26(14-18-9-6-10-29-18)19(28)12-22(2,3)4/h5,7-8,11,18H,6,9-10,12-14H2,1-4H3/t18-/m1/s1.
What are the key properties of 3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide has a molecular weight of 395.51 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 1466242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).