3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline

C19H22N4O — CID 97155322

IUPAC3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline
SMILESCOc1nc2ccccc2cc1CN1CCC[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C19H22N4O/c1-24-19-16(11-14-5-2-3-7-17(14)22-19)13-23-10-4-6-15(12-23)18-20-8-9-21-18/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyJJBFGKBEQVZGOM-OAHLLOKOSA-N
MW322.41 g/mol
LogP3.35
Rot. Bonds4

About 3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline

3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline (PubChem CID 97155322) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline.

Molecular Properties

Compound Name3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline
PubChem CID97155322
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline
SMILESCOc1nc2ccccc2cc1CN1CCC[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C19H22N4O/c1-24-19-16(11-14-5-2-3-7-17(14)22-19)13-23-10-4-6-15(12-23)18-20-8-9-21-18/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyJJBFGKBEQVZGOM-OAHLLOKOSA-N
XLogP3.35
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 131934227
5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 135119860
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434
methyl 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]acetate
CID 97319118
1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 63902353
(3R)-N-[(2-methoxyquinolin-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42508304
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline
CID 127741692
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylquinoline
CID 133448347
3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine
CID 102966730
3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline
CID 56906629
2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol
CID 72881394
2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 43981509

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline?
The IUPAC name of 3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline (CID 97155322) is 3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline.
What is the SMILES notation for 3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline?
The canonical SMILES for 3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline is COc1nc2ccccc2cc1CN1CCC[C@@H](c2ncc[nH]2)C1.
What is the InChIKey of 3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline?
The InChIKey is JJBFGKBEQVZGOM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O/c1-24-19-16(11-14-5-2-3-7-17(14)22-19)13-23-10-4-6-15(12-23)18-20-8-9-21-18/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,20,21)/t15-/m1/s1.
What are the key properties of 3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline?
3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline has a molecular weight of 322.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline is sourced from PubChem (CID 97155322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).