[(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone

C22H24N4O2 — CID 97018091

IUPAC[(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCCN(c2ncnc3cc4ccccc4cc23)C1)N1CCOCC1
InChIInChI=1S/C22H24N4O2/c27-22(25-8-10-28-11-9-25)18-6-3-7-26(14-18)21-19-12-16-4-1-2-5-17(16)13-20(19)23-15-24-21/h1-2,4-5,12-13,15,18H,3,6-11,14H2/t18-/m1/s1
InChIKeyGQNIPZSUGZHPRV-GOSISDBHSA-N
MW376.46 g/mol
LogP2.86
Rot. Bonds2

About [(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone

[(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 97018091) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID97018091
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCCN(c2ncnc3cc4ccccc4cc23)C1)N1CCOCC1
InChIInChI=1S/C22H24N4O2/c27-22(25-8-10-28-11-9-25)18-6-3-7-26(14-18)21-19-12-16-4-1-2-5-17(16)13-20(19)23-15-24-21/h1-2,4-5,12-13,15,18H,3,6-11,14H2/t18-/m1/s1
InChIKeyGQNIPZSUGZHPRV-GOSISDBHSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 55500958
morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone
CID 163354113
[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92877110
morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone
CID 51532486
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844
[1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 24607800
1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134220166
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976019
[1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434655
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
CID 21002829
1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134210616
3-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 155974260

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone (CID 97018091) is [(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone is O=C([C@@H]1CCCN(c2ncnc3cc4ccccc4cc23)C1)N1CCOCC1.
What is the InChIKey of [(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is GQNIPZSUGZHPRV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(25-8-10-28-11-9-25)18-6-3-7-26(14-18)21-19-12-16-4-1-2-5-17(16)13-20(19)23-15-24-21/h1-2,4-5,12-13,15,18H,3,6-11,14H2/t18-/m1/s1.
What are the key properties of [(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone?
[(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 376.46 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97018091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).