[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone

C24H24N4O4 — CID 118621557

IUPAC[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone
SMILESCOc1ccc2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)nc3)ccc2n1
InChIInChI=1S/C24H24N4O4/c1-32-21-7-4-17-14-16(2-5-19(17)26-21)18-3-6-20(25-15-18)22(29)27-10-12-28(13-11-27)23(30)24(31)8-9-24/h2-7,14-15,31H,8-13H2,1H3
InChIKeyOFAZGOCXIHZVBI-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.11
Rot. Bonds4

About [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone (PubChem CID 118621557) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone
PubChem CID118621557
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone
SMILESCOc1ccc2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)nc3)ccc2n1
InChIInChI=1S/C24H24N4O4/c1-32-21-7-4-17-14-16(2-5-19(17)26-21)18-3-6-20(25-15-18)22(29)27-10-12-28(13-11-27)23(30)24(31)8-9-24/h2-7,14-15,31H,8-13H2,1H3
InChIKeyOFAZGOCXIHZVBI-UHFFFAOYSA-N
XLogP2.11
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone?
The IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone (CID 118621557) is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone?
The canonical SMILES for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone is COc1ccc2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)nc3)ccc2n1.
What is the InChIKey of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone?
The InChIKey is OFAZGOCXIHZVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-32-21-7-4-17-14-16(2-5-19(17)26-21)18-3-6-20(25-15-18)22(29)27-10-12-28(13-11-27)23(30)24(31)8-9-24/h2-7,14-15,31H,8-13H2,1H3.
What are the key properties of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone?
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone has a molecular weight of 432.48 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 118621557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).