N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide

C19H24N2O3 — CID 133116951

IUPACN-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc2c(C)c(C)ccc12)[C@@H]1COC[C@H]1O
InChIInChI=1S/C19H24N2O3/c1-5-21(16-9-24-10-17(16)22)19(23)15-8-12(3)20-18-13(4)11(2)6-7-14(15)18/h6-8,16-17,22H,5,9-10H2,1-4H3/t16-,17-/m1/s1
InChIKeyXBNUFFNPILVWKI-IAGOWNOFSA-N
MW328.41 g/mol
LogP2.38
Rot. Bonds3

About N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide

N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide (PubChem CID 133116951) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide
PubChem CID133116951
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc2c(C)c(C)ccc12)[C@@H]1COC[C@H]1O
InChIInChI=1S/C19H24N2O3/c1-5-21(16-9-24-10-17(16)22)19(23)15-8-12(3)20-18-13(4)11(2)6-7-14(15)18/h6-8,16-17,22H,5,9-10H2,1-4H3/t16-,17-/m1/s1
InChIKeyXBNUFFNPILVWKI-IAGOWNOFSA-N
XLogP2.38
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide?
The IUPAC name of N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide (CID 133116951) is N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide is CCN(C(=O)c1cc(C)nc2c(C)c(C)ccc12)[C@@H]1COC[C@H]1O.
What is the InChIKey of N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide?
The InChIKey is XBNUFFNPILVWKI-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-5-21(16-9-24-10-17(16)22)19(23)15-8-12(3)20-18-13(4)11(2)6-7-14(15)18/h6-8,16-17,22H,5,9-10H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide?
N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 133116951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).