N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide

C27H33N3O3 — CID 134537587

IUPACN-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide
SMILESCCn1c(=O)cc(C2CCN(CCOC)CC2)c2cc(N(C)C(=O)c3ccccc3)ccc21
InChIInChI=1S/C27H33N3O3/c1-4-30-25-11-10-22(28(2)27(32)21-8-6-5-7-9-21)18-24(25)23(19-26(30)31)20-12-14-29(15-13-20)16-17-33-3/h5-11,18-20H,4,12-17H2,1-3H3
InChIKeyDAXUYDWHOUBQMT-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.12
Rot. Bonds7

About N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide

N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide (PubChem CID 134537587) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide
PubChem CID134537587
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide
SMILESCCn1c(=O)cc(C2CCN(CCOC)CC2)c2cc(N(C)C(=O)c3ccccc3)ccc21
InChIInChI=1S/C27H33N3O3/c1-4-30-25-11-10-22(28(2)27(32)21-8-6-5-7-9-21)18-24(25)23(19-26(30)31)20-12-14-29(15-13-20)16-17-33-3/h5-11,18-20H,4,12-17H2,1-3H3
InChIKeyDAXUYDWHOUBQMT-UHFFFAOYSA-N
XLogP4.12
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide?
The IUPAC name of N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide (CID 134537587) is N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide.
What is the SMILES notation for N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide?
The canonical SMILES for N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide is CCn1c(=O)cc(C2CCN(CCOC)CC2)c2cc(N(C)C(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide?
The InChIKey is DAXUYDWHOUBQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-4-30-25-11-10-22(28(2)27(32)21-8-6-5-7-9-21)18-24(25)23(19-26(30)31)20-12-14-29(15-13-20)16-17-33-3/h5-11,18-20H,4,12-17H2,1-3H3.
What are the key properties of N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide?
N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide has a molecular weight of 447.58 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide is sourced from PubChem (CID 134537587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).