N-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide

C18H20N4O3 — CID 154781325

IUPACN-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide
SMILESCc1c(C(=O)NC(CO)c2cncn2C)c2ccccc2n(C)c1=O
InChIInChI=1S/C18H20N4O3/c1-11-16(12-6-4-5-7-14(12)22(3)18(11)25)17(24)20-13(9-23)15-8-19-10-21(15)2/h4-8,10,13,23H,9H2,1-3H3,(H,20,24)
InChIKeyGTGOVLKRMRGFGH-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.04
Rot. Bonds4

About N-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide

N-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide (PubChem CID 154781325) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide
PubChem CID154781325
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide
SMILESCc1c(C(=O)NC(CO)c2cncn2C)c2ccccc2n(C)c1=O
InChIInChI=1S/C18H20N4O3/c1-11-16(12-6-4-5-7-14(12)22(3)18(11)25)17(24)20-13(9-23)15-8-19-10-21(15)2/h4-8,10,13,23H,9H2,1-3H3,(H,20,24)
InChIKeyGTGOVLKRMRGFGH-UHFFFAOYSA-N
XLogP1.04
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol
CID 66117358
(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 54681675
3-(methylamino)-3-(3-methylimidazol-4-yl)propanoic acid
CID 66117786
N-(3-cyclopropyl-4-methyl-2-pyridinyl)-1,3-dimethyl-2-oxoquinoline-4-carboxamide
CID 154781253
N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
CID 90355399
methyl 2-(1,4-dimethyl-2-oxoquinolin-3-yl)acetate
CID 13405582
(3R)-3-(3-methylimidazol-4-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103696680
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103944574
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
1,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)quinoline-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166261411

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide (CID 154781325) is N-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide is Cc1c(C(=O)NC(CO)c2cncn2C)c2ccccc2n(C)c1=O.
What is the InChIKey of N-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide?
The InChIKey is GTGOVLKRMRGFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-16(12-6-4-5-7-14(12)22(3)18(11)25)17(24)20-13(9-23)15-8-19-10-21(15)2/h4-8,10,13,23H,9H2,1-3H3,(H,20,24).
What are the key properties of N-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide?
N-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 154781325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).