4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one

C15H16N4O2 — CID 106771878

IUPAC4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cnc(N)c2ccccc12
InChIInChI=1S/C15H16N4O2/c1-9-14(20)17-6-7-19(9)15(21)12-8-18-13(16)11-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H2,16,18)(H,17,20)
InChIKeyLDOCYPXCEJOWLP-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.78
Rot. Bonds1

About 4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one

4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one (PubChem CID 106771878) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one
PubChem CID106771878
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cnc(N)c2ccccc12
InChIInChI=1S/C15H16N4O2/c1-9-14(20)17-6-7-19(9)15(21)12-8-18-13(16)11-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H2,16,18)(H,17,20)
InChIKeyLDOCYPXCEJOWLP-UHFFFAOYSA-N
XLogP0.78
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one
CID 63600921
4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
CID 81241204
4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one
CID 115330862
4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one
CID 63606060
4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
CID 63607605
4-(4-amino-2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 63596987
4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 105388346
5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685364
(1-aminoisoquinolin-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 106770126
4-(2,3-difluorobenzoyl)-3-methylpiperazin-2-one
CID 63373788
3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one
CID 63606558

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one (CID 106771878) is 4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)c1cnc(N)c2ccccc12.
What is the InChIKey of 4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is LDOCYPXCEJOWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-14(20)17-6-7-19(9)15(21)12-8-18-13(16)11-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of 4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one?
4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 284.32 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 106771878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).