(4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C19H26N2O4 — CID 97155952

IUPAC(4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCN(CC1CCOCC1)C(=O)[C@H]1CC(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C19H26N2O4/c1-3-21(12-13-6-8-25-9-7-13)19(23)16-11-18(22)20-17-5-4-14(24-2)10-15(16)17/h4-5,10,13,16H,3,6-9,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyWDAGWRLWZVXSIY-INIZCTEOSA-N
MW346.43 g/mol
LogP2.40
Rot. Bonds5

About (4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 97155952) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID97155952
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCN(CC1CCOCC1)C(=O)[C@H]1CC(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C19H26N2O4/c1-3-21(12-13-6-8-25-9-7-13)19(23)16-11-18(22)20-17-5-4-14(24-2)10-15(16)17/h4-5,10,13,16H,3,6-9,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyWDAGWRLWZVXSIY-INIZCTEOSA-N
XLogP2.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 97155952) is (4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCN(CC1CCOCC1)C(=O)[C@H]1CC(=O)Nc2ccc(OC)cc21.
What is the InChIKey of (4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is WDAGWRLWZVXSIY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-21(12-13-6-8-25-9-7-13)19(23)16-11-18(22)20-17-5-4-14(24-2)10-15(16)17/h4-5,10,13,16H,3,6-9,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97155952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).