cyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone

C23H24N4O3 — CID 155528247

IUPACcyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone
SMILESCOc1ccc(-c2ccc3ncnc(O[C@H]4CCCN(C(=O)C5CC5)C4)c3c2)cn1
InChIInChI=1S/C23H24N4O3/c1-29-21-9-7-17(12-24-21)16-6-8-20-19(11-16)22(26-14-25-20)30-18-3-2-10-27(13-18)23(28)15-4-5-15/h6-9,11-12,14-15,18H,2-5,10,13H2,1H3/t18-/m0/s1
InChIKeySEFVSHPFHIBKRK-SFHVURJKSA-N
MW404.47 g/mol
LogP3.48
Rot. Bonds5

About cyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone

cyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone (PubChem CID 155528247) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is cyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone
PubChem CID155528247
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Namecyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone
SMILESCOc1ccc(-c2ccc3ncnc(O[C@H]4CCCN(C(=O)C5CC5)C4)c3c2)cn1
InChIInChI=1S/C23H24N4O3/c1-29-21-9-7-17(12-24-21)16-6-8-20-19(11-16)22(26-14-25-20)30-18-3-2-10-27(13-18)23(28)15-4-5-15/h6-9,11-12,14-15,18H,2-5,10,13H2,1H3/t18-/m0/s1
InChIKeySEFVSHPFHIBKRK-SFHVURJKSA-N
XLogP3.48
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone (CID 155528247) is cyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone is COc1ccc(-c2ccc3ncnc(O[C@H]4CCCN(C(=O)C5CC5)C4)c3c2)cn1.
What is the InChIKey of cyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone?
The InChIKey is SEFVSHPFHIBKRK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-21-9-7-17(12-24-21)16-6-8-20-19(11-16)22(26-14-25-20)30-18-3-2-10-27(13-18)23(28)15-4-5-15/h6-9,11-12,14-15,18H,2-5,10,13H2,1H3/t18-/m0/s1.
What are the key properties of cyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone?
cyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone has a molecular weight of 404.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 155528247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).