[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone

C19H20N4O — CID 124986274

IUPAC[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCc1cnc([C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)[nH]1
InChIInChI=1S/C19H20N4O/c1-13-11-21-18(22-13)16-5-3-9-23(12-16)19(24)15-6-7-17-14(10-15)4-2-8-20-17/h2,4,6-8,10-11,16H,3,5,9,12H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyNXMFMOYEAXSBAQ-INIZCTEOSA-N
MW320.40 g/mol
LogP3.29
Rot. Bonds2

About [(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone

[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 124986274) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
PubChem CID124986274
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCc1cnc([C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)[nH]1
InChIInChI=1S/C19H20N4O/c1-13-11-21-18(22-13)16-5-3-9-23(12-16)19(24)15-6-7-17-14(10-15)4-2-8-20-17/h2,4,6-8,10-11,16H,3,5,9,12H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyNXMFMOYEAXSBAQ-INIZCTEOSA-N
XLogP3.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110104147
1,3-benzodioxol-5-yl-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125025134
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125006215
(3,5-difluorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125011983
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 124942397
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 124996414
3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 124989932
[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124955112
(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124949617
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 124968000
[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110104793

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone (CID 124986274) is [(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone is Cc1cnc([C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)[nH]1.
What is the InChIKey of [(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is NXMFMOYEAXSBAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-11-21-18(22-13)16-5-3-9-23(12-16)19(24)15-6-7-17-14(10-15)4-2-8-20-17/h2,4,6-8,10-11,16H,3,5,9,12H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of [(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 320.40 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 124986274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).