4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide

C28H34N4O3 — CID 10322678

IUPAC4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NCC2CCN(C(C)C)CC2)c2cnc3ccccc3c2)cc1
InChIInChI=1S/C28H34N4O3/c1-19(2)32-14-12-20(13-15-32)17-30-28(34)26(23-16-22-6-4-5-7-25(22)29-18-23)31-27(33)21-8-10-24(35-3)11-9-21/h4-11,16,18-20,26H,12-15,17H2,1-3H3,(H,30,34)(H,31,33)
InChIKeyVPYKZGSPSAJTKG-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.95
Rot. Bonds8

About 4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide

4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide (PubChem CID 10322678) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide
PubChem CID10322678
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NCC2CCN(C(C)C)CC2)c2cnc3ccccc3c2)cc1
InChIInChI=1S/C28H34N4O3/c1-19(2)32-14-12-20(13-15-32)17-30-28(34)26(23-16-22-6-4-5-7-25(22)29-18-23)31-27(33)21-8-10-24(35-3)11-9-21/h4-11,16,18-20,26H,12-15,17H2,1-3H3,(H,30,34)(H,31,33)
InChIKeyVPYKZGSPSAJTKG-UHFFFAOYSA-N
XLogP3.95
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide (CID 10322678) is 4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide is COc1ccc(C(=O)NC(C(=O)NCC2CCN(C(C)C)CC2)c2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide?
The InChIKey is VPYKZGSPSAJTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-19(2)32-14-12-20(13-15-32)17-30-28(34)26(23-16-22-6-4-5-7-25(22)29-18-23)31-27(33)21-8-10-24(35-3)11-9-21/h4-11,16,18-20,26H,12-15,17H2,1-3H3,(H,30,34)(H,31,33).
What are the key properties of 4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide?
4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide has a molecular weight of 474.61 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]-1-quinolin-3-ylethyl]benzamide is sourced from PubChem (CID 10322678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).