4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione

C22H29NO4 — CID 17312606

IUPAC4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCCOc1cc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C
InChIInChI=1S/C22H29NO4/c1-6-26-19-9-14(7-8-18(19)27-13(2)3)15-10-20(25)23-16-11-22(4,5)12-17(24)21(15)16/h7-9,13,15H,6,10-12H2,1-5H3,(H,23,25)
InChIKeyKDSIJVSMINDVOZ-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.12
Rot. Bonds5

About 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione

4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (PubChem CID 17312606) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
PubChem CID17312606
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCCOc1cc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C
InChIInChI=1S/C22H29NO4/c1-6-26-19-9-14(7-8-18(19)27-13(2)3)15-10-20(25)23-16-11-22(4,5)12-17(24)21(15)16/h7-9,13,15H,6,10-12H2,1-5H3,(H,23,25)
InChIKeyKDSIJVSMINDVOZ-UHFFFAOYSA-N
XLogP4.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The IUPAC name of 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (CID 17312606) is 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The canonical SMILES for 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is CCOc1cc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C.
What is the InChIKey of 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The InChIKey is KDSIJVSMINDVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-6-26-19-9-14(7-8-18(19)27-13(2)3)15-10-20(25)23-16-11-22(4,5)12-17(24)21(15)16/h7-9,13,15H,6,10-12H2,1-5H3,(H,23,25).
What are the key properties of 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione has a molecular weight of 371.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 17312606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).