4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one

C23H23N3O3 — CID 155507753

IUPAC4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one
SMILESCn1nc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)c2ccccc2c1=O
InChIInChI=1S/C23H23N3O3/c1-25-22(27)18-10-6-5-9-17(18)21(24-25)23(28)26-13-19(15-7-3-2-4-8-15)29-20(14-26)16-11-12-16/h2-10,16,19-20H,11-14H2,1H3/t19-,20+/m0/s1
InChIKeyJPWHCVLDHMQZBS-VQTJNVASSA-N
MW389.46 g/mol
LogP2.93
Rot. Bonds3

About 4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one

4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one (PubChem CID 155507753) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one
PubChem CID155507753
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one
SMILESCn1nc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)c2ccccc2c1=O
InChIInChI=1S/C23H23N3O3/c1-25-22(27)18-10-6-5-9-17(18)21(24-25)23(28)26-13-19(15-7-3-2-4-8-15)29-20(14-26)16-11-12-16/h2-10,16,19-20H,11-14H2,1H3/t19-,20+/m0/s1
InChIKeyJPWHCVLDHMQZBS-VQTJNVASSA-N
XLogP2.93
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
CID 134700307
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 134703515
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 134707536
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 134700601
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone
CID 134701126
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone
CID 134714028
3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134703735
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
CID 155505273
2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one
CID 165420118
N-[3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-3-oxopropyl]acetamide
CID 134701533
2-methyl-4-[(3S)-3-(4-phenylbenzoyl)piperidine-1-carbonyl]phthalazin-1-one
CID 42288019
1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 134706455

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one?
The IUPAC name of 4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one (CID 155507753) is 4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one.
What is the SMILES notation for 4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one?
The canonical SMILES for 4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one is Cn1nc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)c2ccccc2c1=O.
What is the InChIKey of 4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one?
The InChIKey is JPWHCVLDHMQZBS-VQTJNVASSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-25-22(27)18-10-6-5-9-17(18)21(24-25)23(28)26-13-19(15-7-3-2-4-8-15)29-20(14-26)16-11-12-16/h2-10,16,19-20H,11-14H2,1H3/t19-,20+/m0/s1.
What are the key properties of 4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one?
4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one has a molecular weight of 389.46 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one is sourced from PubChem (CID 155507753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).