ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate

C21H24N2O4 — CID 20529010

IUPACethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1NC(C)c1ccccc1.O
InChIInChI=1S/C21H22N2O3.H2O/c1-4-26-21(24)17-13-22-20-16(11-8-12-18(20)25-3)19(17)23-14(2)15-9-6-5-7-10-15;/h5-14H,4H2,1-3H3,(H,22,23);1H2
InChIKeyMJNAFZWEKGYYQT-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.77
Rot. Bonds6

About ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate

ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate (PubChem CID 20529010) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
PubChem CID20529010
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1NC(C)c1ccccc1.O
InChIInChI=1S/C21H22N2O3.H2O/c1-4-26-21(24)17-13-22-20-16(11-8-12-18(20)25-3)19(17)23-14(2)15-9-6-5-7-10-15;/h5-14H,4H2,1-3H3,(H,22,23);1H2
InChIKeyMJNAFZWEKGYYQT-UHFFFAOYSA-N
XLogP3.77
TPSA91.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
3-iodo-8-methoxy-N-(1-phenylethyl)quinolin-4-amine
CID 54178346
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624
3-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]-4-methylbenzoic acid;hydrochloride
CID 18590598
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
ethyl 4-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012
6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate
CID 7320785
ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 10247376
ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate
CID 162662540

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate?
The IUPAC name of ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate (CID 20529010) is ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate.
What is the SMILES notation for ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate?
The canonical SMILES for ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate is CCOC(=O)c1cnc2c(OC)cccc2c1NC(C)c1ccccc1.O.
What is the InChIKey of ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate?
The InChIKey is MJNAFZWEKGYYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.H2O/c1-4-26-21(24)17-13-22-20-16(11-8-12-18(20)25-3)19(17)23-14(2)15-9-6-5-7-10-15;/h5-14H,4H2,1-3H3,(H,22,23);1H2.
What are the key properties of ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate?
ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate has a molecular weight of 368.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate is sourced from PubChem (CID 20529010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).