ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride

C20H24ClNO5 — CID 45488953

IUPACethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c[nH]c2cc(OCC3CC3)c(OCC3CC3)cc2c1=O.Cl
InChIInChI=1S/C20H23NO5.ClH/c1-2-24-20(23)15-9-21-16-8-18(26-11-13-5-6-13)17(7-14(16)19(15)22)25-10-12-3-4-12;/h7-9,12-13H,2-6,10-11H2,1H3,(H,21,22);1H
InChIKeyRHNVFRUNONKBGD-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.70
Rot. Bonds8

About ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride

ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride (PubChem CID 45488953) has the molecular formula C20H24ClNO5 and a molecular weight of 393.87 g/mol. Its IUPAC name is ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride
PubChem CID45488953
Molecular FormulaC20H24ClNO5
Molecular Weight393.87 g/mol
Exact Mass393.13
IUPAC Nameethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c[nH]c2cc(OCC3CC3)c(OCC3CC3)cc2c1=O.Cl
InChIInChI=1S/C20H23NO5.ClH/c1-2-24-20(23)15-9-21-16-8-18(26-11-13-5-6-13)17(7-14(16)19(15)22)25-10-12-3-4-12;/h7-9,12-13H,2-6,10-11H2,1H3,(H,21,22);1H
InChIKeyRHNVFRUNONKBGD-UHFFFAOYSA-N
XLogP3.70
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride (CID 45488953) is ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride is CCOC(=O)c1c[nH]c2cc(OCC3CC3)c(OCC3CC3)cc2c1=O.Cl.
What is the InChIKey of ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride?
The InChIKey is RHNVFRUNONKBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5.ClH/c1-2-24-20(23)15-9-21-16-8-18(26-11-13-5-6-13)17(7-14(16)19(15)22)25-10-12-3-4-12;/h7-9,12-13H,2-6,10-11H2,1H3,(H,21,22);1H.
What are the key properties of ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride?
ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride has a molecular weight of 393.87 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 45488953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).