ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate

C18H17ClN2O3 — CID 10405257

IUPACethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2c(C)c3ccnc(Cl)c3cc2c1=O
InChIInChI=1S/C18H17ClN2O3/c1-4-21-9-14(18(23)24-5-2)16(22)13-8-12-11(10(3)15(13)21)6-7-20-17(12)19/h6-9H,4-5H2,1-3H3
InChIKeyDYIATXJLTPNHBC-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.71
Rot. Bonds3

About ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate

ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate (PubChem CID 10405257) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate
PubChem CID10405257
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Nameethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2c(C)c3ccnc(Cl)c3cc2c1=O
InChIInChI=1S/C18H17ClN2O3/c1-4-21-9-14(18(23)24-5-2)16(22)13-8-12-11(10(3)15(13)21)6-7-20-17(12)19/h6-9H,4-5H2,1-3H3
InChIKeyDYIATXJLTPNHBC-UHFFFAOYSA-N
XLogP3.71
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate
CID 146001120
ethyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 14099128
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654
ethyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate
CID 159602543
6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylic acid;ethyl 6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylate;methane;phosphane
CID 163541939
ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate
CID 59788143
ethyl 6-chloro-7-cyano-1-ethyl-4-oxoquinoline-3-carboxylate
CID 15050577
(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
CID 140944007
diethyl 2-chloropyridine-3,4-dicarboxylate
CID 86639619
ethyl 1-ethyl-6,7,8-trifluoro-5-methyl-4-oxoquinoline-3-carboxylate
CID 14651269
ethyl 1-[(3-chlorophenyl)methyl]-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 10834539
ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)
CID 20794343

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate (CID 10405257) is ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2c(C)c3ccnc(Cl)c3cc2c1=O.
What is the InChIKey of ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate?
The InChIKey is DYIATXJLTPNHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-4-21-9-14(18(23)24-5-2)16(22)13-8-12-11(10(3)15(13)21)6-7-20-17(12)19/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate?
ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate has a molecular weight of 344.80 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate is sourced from PubChem (CID 10405257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).