5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide

C18H19N5O2 — CID 155917194

IUPAC5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C18H19N5O2/c1-11-17(22-23-21-11)18(24)20-16-10-25-9-13(16)8-12-6-7-19-15-5-3-2-4-14(12)15/h2-7,13,16H,8-10H2,1H3,(H,20,24)(H,21,22,23)/t13-,16-/m1/s1
InChIKeyJBQYZPJFBWNIKA-CZUORRHYSA-N
MW337.38 g/mol
LogP1.65
Rot. Bonds4

About 5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide

5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide (PubChem CID 155917194) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
PubChem CID155917194
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C18H19N5O2/c1-11-17(22-23-21-11)18(24)20-16-10-25-9-13(16)8-12-6-7-19-15-5-3-2-4-14(12)15/h2-7,13,16H,8-10H2,1H3,(H,20,24)(H,21,22,23)/t13-,16-/m1/s1
InChIKeyJBQYZPJFBWNIKA-CZUORRHYSA-N
XLogP1.65
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 156586814
5-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 135107300
5-cyclopropyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 135106187
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 135094707
3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
CID 134711744
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135102279
2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 134712220
2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
CID 135108891
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135104245
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
CID 134703831
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide
CID 134705202

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide (CID 155917194) is 5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12.
What is the InChIKey of 5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide?
The InChIKey is JBQYZPJFBWNIKA-CZUORRHYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-17(22-23-21-11)18(24)20-16-10-25-9-13(16)8-12-6-7-19-15-5-3-2-4-14(12)15/h2-7,13,16H,8-10H2,1H3,(H,20,24)(H,21,22,23)/t13-,16-/m1/s1.
What are the key properties of 5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide?
5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 155917194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).