8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate

C18H18N2O4 — CID 151833443

IUPAC8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate
SMILESCOC(=O)C1=Cc2cc3ncccc3cc2CN1C(=O)OC(C)C
InChIInChI=1S/C18H18N2O4/c1-11(2)24-18(22)20-10-14-7-12-5-4-6-19-15(12)8-13(14)9-16(20)17(21)23-3/h4-9,11H,10H2,1-3H3
InChIKeySFDSHYVIOOGMBX-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.11
Rot. Bonds2

About 8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate

8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate (PubChem CID 151833443) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate.

Molecular Properties

Compound Name8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate
PubChem CID151833443
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate
SMILESCOC(=O)C1=Cc2cc3ncccc3cc2CN1C(=O)OC(C)C
InChIInChI=1S/C18H18N2O4/c1-11(2)24-18(22)20-10-14-7-12-5-4-6-19-15(12)8-13(14)9-16(20)17(21)23-3/h4-9,11H,10H2,1-3H3
InChIKeySFDSHYVIOOGMBX-UHFFFAOYSA-N
XLogP3.11
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate with MolForge

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Related Compounds

methyl 2-oxo-3-(2H-pyrano[3,2-g]quinolin-3-yl)propanoate
CID 155923351
methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate
CID 63968055
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
1-(methylamino)ethyl quinoline-7-carboxylate
CID 141347103
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839
6-methoxyquinoline-7-carboxylic acid
CID 131314399
cyclododeca[g]quinoline
CID 173006173
methyl 5-(quinoline-6-carbonyl)furan-2-carboxylate
CID 106946573
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909
methyl 2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxylate
CID 115280212
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
2,2-dimethoxy-1-quinolin-6-ylethanone
CID 81221029

Frequently Asked Questions

What is the IUPAC name of 8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate?
The IUPAC name of 8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate (CID 151833443) is 8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate.
What is the SMILES notation for 8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate?
The canonical SMILES for 8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate is COC(=O)C1=Cc2cc3ncccc3cc2CN1C(=O)OC(C)C.
What is the InChIKey of 8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate?
The InChIKey is SFDSHYVIOOGMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11(2)24-18(22)20-10-14-7-12-5-4-6-19-15(12)8-13(14)9-16(20)17(21)23-3/h4-9,11H,10H2,1-3H3.
What are the key properties of 8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate?
8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate has a molecular weight of 326.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-methyl 7-O-propan-2-yl 6H-pyrido[3,4-g]quinoline-7,8-dicarboxylate is sourced from PubChem (CID 151833443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).