ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate

C19H24N2O4 — CID 133368783

IUPACethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(C)ccc2c1N1CCOC(CO)C1
InChIInChI=1S/C19H24N2O4/c1-4-24-19(23)16-9-20-17-13(3)12(2)5-6-15(17)18(16)21-7-8-25-14(10-21)11-22/h5-6,9,14,22H,4,7-8,10-11H2,1-3H3
InChIKeyUFLASKXUINHQQN-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.23
Rot. Bonds4

About ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate

ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate (PubChem CID 133368783) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate
PubChem CID133368783
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(C)ccc2c1N1CCOC(CO)C1
InChIInChI=1S/C19H24N2O4/c1-4-24-19(23)16-9-20-17-13(3)12(2)5-6-15(17)18(16)21-7-8-25-14(10-21)11-22/h5-6,9,14,22H,4,7-8,10-11H2,1-3H3
InChIKeyUFLASKXUINHQQN-UHFFFAOYSA-N
XLogP2.23
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 1568488
Ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
CID 696527
4-[2-(Dimethylamino)ethylamino]-3-benzo[h]quinolinecarboxylic acid ethyl ester
CID 709126
Ethyl 4-aminobenzo[h]quinoline-3-carboxylate
CID 730985
4-(3-Dimethylamino-propylamino)-benzo[h]quinoline-3-carboxylic acid ethyl ester
CID 1561354
Ethyl 6-methyl-4-{[4-(4-morpholinyl)phenyl]amino}-3-quinolinecarboxylate
CID 1190554
Ethyl 4-[(2-hydroxyethyl)amino]quinoline-3-carboxylate
CID 656280
Ethyl 8-methyl-4-{[2-(4-morpholinyl)ethyl]amino}-3-quinolinecarboxylate
CID 702832
Ethyl 4-[(3-acetylphenyl)amino]-8-methylquinoline-3-carboxylate
CID 730936
3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid
CID 1078352
3-[(3-Ethoxycarbonyl-6,8-dimethylquinolin-4-yl)amino]benzoic acid
CID 1187222
Ethyl 6,8-dimethyl-4-{[4-(morpholin-4-yl)phenyl]amino}quinoline-3-carboxylate
CID 1187225

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate (CID 133368783) is ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)c(C)ccc2c1N1CCOC(CO)C1.
What is the InChIKey of ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate?
The InChIKey is UFLASKXUINHQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-24-19(23)16-9-20-17-13(3)12(2)5-6-15(17)18(16)21-7-8-25-14(10-21)11-22/h5-6,9,14,22H,4,7-8,10-11H2,1-3H3.
What are the key properties of ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate?
ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 133368783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).