N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide

C20H26N6O — CID 1432131

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
SMILESCCN1CCC[C@H]1CN(Cc1cc2ccc(C)cc2n2nnnc12)C(C)=O
InChIInChI=1S/C20H26N6O/c1-4-24-9-5-6-18(24)13-25(15(3)27)12-17-11-16-8-7-14(2)10-19(16)26-20(17)21-22-23-26/h7-8,10-11,18H,4-6,9,12-13H2,1-3H3/t18-/m0/s1
InChIKeyKNOCZDFATMRBOD-SFHVURJKSA-N
MW366.47 g/mol
LogP2.42
Rot. Bonds5

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide (PubChem CID 1432131) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
PubChem CID1432131
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
SMILESCCN1CCC[C@H]1CN(Cc1cc2ccc(C)cc2n2nnnc12)C(C)=O
InChIInChI=1S/C20H26N6O/c1-4-24-9-5-6-18(24)13-25(15(3)27)12-17-11-16-8-7-14(2)10-19(16)26-20(17)21-22-23-26/h7-8,10-11,18H,4-6,9,12-13H2,1-3H3/t18-/m0/s1
InChIKeyKNOCZDFATMRBOD-SFHVURJKSA-N
XLogP2.42
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide
CID 3866532
N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 3216791
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1459629
2-chloro-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1466395
3-butyl-1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 3221115
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
1-cyclopentyl-3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 1445458
1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
CID 1466341
3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3216762
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-fluorophenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976143
N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 43813460
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
CID 3216778

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide (CID 1432131) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide is CCN1CCC[C@H]1CN(Cc1cc2ccc(C)cc2n2nnnc12)C(C)=O.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
The InChIKey is KNOCZDFATMRBOD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N6O/c1-4-24-9-5-6-18(24)13-25(15(3)27)12-17-11-16-8-7-14(2)10-19(16)26-20(17)21-22-23-26/h7-8,10-11,18H,4-6,9,12-13H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide has a molecular weight of 366.47 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide is sourced from PubChem (CID 1432131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).