[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone

C24H23N3O3 — CID 86273160

IUPAC[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cnc3ccccc3c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)9-10-24)18-7-5-17(6-8-18)20-15-19-3-1-2-4-21(19)25-16-20/h1-8,15-16,30H,9-14H2
InChIKeySPAWONGCLNYYTM-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.71
Rot. Bonds3

About [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone (PubChem CID 86273160) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone
PubChem CID86273160
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cnc3ccccc3c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)9-10-24)18-7-5-17(6-8-18)20-15-19-3-1-2-4-21(19)25-16-20/h1-8,15-16,30H,9-14H2
InChIKeySPAWONGCLNYYTM-UHFFFAOYSA-N
XLogP2.71
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone?
The IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone (CID 86273160) is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone.
What is the SMILES notation for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone?
The canonical SMILES for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone is O=C(c1ccc(-c2cnc3ccccc3c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1.
What is the InChIKey of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone?
The InChIKey is SPAWONGCLNYYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)9-10-24)18-7-5-17(6-8-18)20-15-19-3-1-2-4-21(19)25-16-20/h1-8,15-16,30H,9-14H2.
What are the key properties of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone?
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone has a molecular weight of 401.47 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-quinolin-3-ylphenyl)methanone is sourced from PubChem (CID 86273160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).