6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one

C24H23N5O3 — CID 172583117

IUPAC6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one
SMILESCn1ccc2cc(-c3cnc4ccc(C(=O)N5C[C@@H](N)C[C@H](O)C5)cc4n3)ccc2c1=O
InChIInChI=1S/C24H23N5O3/c1-28-7-6-14-8-15(2-4-19(14)24(28)32)22-11-26-20-5-3-16(9-21(20)27-22)23(31)29-12-17(25)10-18(30)13-29/h2-9,11,17-18,30H,10,12-13,25H2,1H3/t17-,18-/m0/s1
InChIKeyLBKDBWIZQWFFRH-ROUUACIJSA-N
MW429.48 g/mol
LogP1.68
Rot. Bonds2

About 6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one

6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one (PubChem CID 172583117) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one
PubChem CID172583117
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one
SMILESCn1ccc2cc(-c3cnc4ccc(C(=O)N5C[C@@H](N)C[C@H](O)C5)cc4n3)ccc2c1=O
InChIInChI=1S/C24H23N5O3/c1-28-7-6-14-8-15(2-4-19(14)24(28)32)22-11-26-20-5-3-16(9-21(20)27-22)23(31)29-12-17(25)10-18(30)13-29/h2-9,11,17-18,30H,10,12-13,25H2,1H3/t17-,18-/m0/s1
InChIKeyLBKDBWIZQWFFRH-ROUUACIJSA-N
XLogP1.68
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one with MolForge

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Related Compounds

6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one
CID 172583004
6-[7-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one
CID 172582984
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-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 159555657
6-(2-amino-1,3-thiazol-5-yl)-2-methylisoquinolin-1-one
CID 168925221
(2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide
CID 70729975
[(3S,5R)-3-amino-5-hydroxypiperidin-1-yl]-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanone;dihydrochloride
CID 154920500
2-methyl-6-[2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-5-yl]isoquinolin-1-one
CID 172583548
N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide
CID 135300348
(3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone
CID 112530856

Frequently Asked Questions

What is the IUPAC name of 6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one?
The IUPAC name of 6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one (CID 172583117) is 6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one.
What is the SMILES notation for 6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one?
The canonical SMILES for 6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one is Cn1ccc2cc(-c3cnc4ccc(C(=O)N5C[C@@H](N)C[C@H](O)C5)cc4n3)ccc2c1=O.
What is the InChIKey of 6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one?
The InChIKey is LBKDBWIZQWFFRH-ROUUACIJSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-28-7-6-14-8-15(2-4-19(14)24(28)32)22-11-26-20-5-3-16(9-21(20)27-22)23(31)29-12-17(25)10-18(30)13-29/h2-9,11,17-18,30H,10,12-13,25H2,1H3/t17-,18-/m0/s1.
What are the key properties of 6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one?
6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one has a molecular weight of 429.48 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[(3S,5S)-3-amino-5-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one is sourced from PubChem (CID 172583117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).