1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde

C25H25ClN2O3 — CID 175119152

IUPAC1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde
SMILESCOc1cc2ncc(-c3ccc(OC4CCN(C5(C=O)CC5)CC4)cc3)cc2cc1Cl
InChIInChI=1S/C25H25ClN2O3/c1-30-24-14-23-18(13-22(24)26)12-19(15-27-23)17-2-4-20(5-3-17)31-21-6-10-28(11-7-21)25(16-29)8-9-25/h2-5,12-16,21H,6-11H2,1H3
InChIKeyAVYLRCFUMVRAOT-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.14
Rot. Bonds6

About 1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde

1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde (PubChem CID 175119152) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde
PubChem CID175119152
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC Name1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde
SMILESCOc1cc2ncc(-c3ccc(OC4CCN(C5(C=O)CC5)CC4)cc3)cc2cc1Cl
InChIInChI=1S/C25H25ClN2O3/c1-30-24-14-23-18(13-22(24)26)12-19(15-27-23)17-2-4-20(5-3-17)31-21-6-10-28(11-7-21)25(16-29)8-9-25/h2-5,12-16,21H,6-11H2,1H3
InChIKeyAVYLRCFUMVRAOT-UHFFFAOYSA-N
XLogP5.14
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde?
The IUPAC name of 1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde (CID 175119152) is 1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde is COc1cc2ncc(-c3ccc(OC4CCN(C5(C=O)CC5)CC4)cc3)cc2cc1Cl.
What is the InChIKey of 1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde?
The InChIKey is AVYLRCFUMVRAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c1-30-24-14-23-18(13-22(24)26)12-19(15-27-23)17-2-4-20(5-3-17)31-21-6-10-28(11-7-21)25(16-29)8-9-25/h2-5,12-16,21H,6-11H2,1H3.
What are the key properties of 1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde?
1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde has a molecular weight of 436.94 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-chloro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 175119152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).