6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one

C24H22N4O3 — CID 172583004

IUPAC6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one
SMILESCn1ccc2cc(-c3cnc4ccc(C(=O)N5CCC[C@@H](O)C5)cc4n3)ccc2c1=O
InChIInChI=1S/C24H22N4O3/c1-27-10-8-15-11-16(4-6-19(15)24(27)31)22-13-25-20-7-5-17(12-21(20)26-22)23(30)28-9-2-3-18(29)14-28/h4-8,10-13,18,29H,2-3,9,14H2,1H3/t18-/m1/s1
InChIKeyOGGHRQDADCMRQF-GOSISDBHSA-N
MW414.47 g/mol
LogP2.75
Rot. Bonds2

About 6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one

6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one (PubChem CID 172583004) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one
PubChem CID172583004
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one
SMILESCn1ccc2cc(-c3cnc4ccc(C(=O)N5CCC[C@@H](O)C5)cc4n3)ccc2c1=O
InChIInChI=1S/C24H22N4O3/c1-27-10-8-15-11-16(4-6-19(15)24(27)31)22-13-25-20-7-5-17(12-21(20)26-22)23(30)28-9-2-3-18(29)14-28/h4-8,10-13,18,29H,2-3,9,14H2,1H3/t18-/m1/s1
InChIKeyOGGHRQDADCMRQF-GOSISDBHSA-N
XLogP2.75
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[7-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one
CID 172582984
6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one
CID 172583117
N-methyl-3-(2-methyl-1-oxoisoquinolin-6-yl)-N-[[(2S)-oxetan-2-yl]methyl]quinoxaline-6-carboxamide
CID 172583284
[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300412
[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 159555657
(3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone
CID 112530732
3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129470841
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72840658
(2-bromo-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103754387
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830

Frequently Asked Questions

What is the IUPAC name of 6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one?
The IUPAC name of 6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one (CID 172583004) is 6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one.
What is the SMILES notation for 6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one?
The canonical SMILES for 6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one is Cn1ccc2cc(-c3cnc4ccc(C(=O)N5CCC[C@@H](O)C5)cc4n3)ccc2c1=O.
What is the InChIKey of 6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one?
The InChIKey is OGGHRQDADCMRQF-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-27-10-8-15-11-16(4-6-19(15)24(27)31)22-13-25-20-7-5-17(12-21(20)26-22)23(30)28-9-2-3-18(29)14-28/h4-8,10-13,18,29H,2-3,9,14H2,1H3/t18-/m1/s1.
What are the key properties of 6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one?
6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one has a molecular weight of 414.47 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one is sourced from PubChem (CID 172583004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).