N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C19H20F3N5O2 — CID 1459588

IUPACN-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)C(F)(F)F)c3nnnn3c2c1C
InChIInChI=1S/C19H20F3N5O2/c1-11-5-6-13-8-14(17-23-24-25-27(17)16(13)12(11)2)9-26(18(28)19(20,21)22)10-15-4-3-7-29-15/h5-6,8,15H,3-4,7,9-10H2,1-2H3/t15-/m0/s1
InChIKeyHIIYWYMVPZMYCP-HNNXBMFYSA-N
MW407.40 g/mol
LogP2.96
Rot. Bonds4

About N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide

N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 1459588) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID1459588
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC NameN-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)C(F)(F)F)c3nnnn3c2c1C
InChIInChI=1S/C19H20F3N5O2/c1-11-5-6-13-8-14(17-23-24-25-27(17)16(13)12(11)2)9-26(18(28)19(20,21)22)10-15-4-3-7-29-15/h5-6,8,15H,3-4,7,9-10H2,1-2H3/t15-/m0/s1
InChIKeyHIIYWYMVPZMYCP-HNNXBMFYSA-N
XLogP2.96
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 1466242
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-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3216808
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
CID 43813550
N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide
CID 1459577
N-cyclohexyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide
CID 1459579
3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 51686396
2-chloro-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1466395
3-(4-fluorophenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 51685233
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-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 1466402

Frequently Asked Questions

What is the IUPAC name of N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 1459588) is N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)C(F)(F)F)c3nnnn3c2c1C.
What is the InChIKey of N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is HIIYWYMVPZMYCP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-11-5-6-13-8-14(17-23-24-25-27(17)16(13)12(11)2)9-26(18(28)19(20,21)22)10-15-4-3-7-29-15/h5-6,8,15H,3-4,7,9-10H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 407.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 1459588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).