propan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate

C23H29NO4 — CID 11383509

IUPACpropan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate
SMILESCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1C(=O)OC(C)C
InChIInChI=1S/C23H29NO4/c1-5-15-12-18-13-17(22(25)16-6-9-19(27-4)10-7-16)8-11-20(18)24-21(15)23(26)28-14(2)3/h8,11-14,16,19H,5-7,9-10H2,1-4H3
InChIKeyWYDNNTDOTHTKMT-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.75
Rot. Bonds6

About propan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate

propan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate (PubChem CID 11383509) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is propan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate
PubChem CID11383509
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Namepropan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate
SMILESCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1C(=O)OC(C)C
InChIInChI=1S/C23H29NO4/c1-5-15-12-18-13-17(22(25)16-6-9-19(27-4)10-7-16)8-11-20(18)24-21(15)23(26)28-14(2)3/h8,11-14,16,19H,5-7,9-10H2,1-4H3
InChIKeyWYDNNTDOTHTKMT-UHFFFAOYSA-N
XLogP4.75
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate?
The IUPAC name of propan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate (CID 11383509) is propan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate?
The canonical SMILES for propan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate is CCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate?
The InChIKey is WYDNNTDOTHTKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-5-15-12-18-13-17(22(25)16-6-9-19(27-4)10-7-16)8-11-20(18)24-21(15)23(26)28-14(2)3/h8,11-14,16,19H,5-7,9-10H2,1-4H3.
What are the key properties of propan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate?
propan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carboxylate is sourced from PubChem (CID 11383509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).