ethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate

C24H27N3O5 — CID 169250519

IUPACethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2cc3ccccc3nc2N2CC[C@@H](OC)C2)[nH]c(C)c(OC)c1=O
InChIInChI=1S/C24H27N3O5/c1-5-32-24(29)19-20(25-14(2)22(31-4)21(19)28)17-12-15-8-6-7-9-18(15)26-23(17)27-11-10-16(13-27)30-3/h6-9,12,16H,5,10-11,13H2,1-4H3,(H,25,28)/t16-/m1/s1
InChIKeyOHWZJWARRCZWBA-MRXNPFEDSA-N
MW437.50 g/mol
LogP3.31
Rot. Bonds6

About ethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate

ethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 169250519) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is ethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
PubChem CID169250519
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Nameethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2cc3ccccc3nc2N2CC[C@@H](OC)C2)[nH]c(C)c(OC)c1=O
InChIInChI=1S/C24H27N3O5/c1-5-32-24(29)19-20(25-14(2)22(31-4)21(19)28)17-12-15-8-6-7-9-18(15)26-23(17)27-11-10-16(13-27)30-3/h6-9,12,16H,5,10-11,13H2,1-4H3,(H,25,28)/t16-/m1/s1
InChIKeyOHWZJWARRCZWBA-MRXNPFEDSA-N
XLogP3.31
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate (CID 169250519) is ethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(-c2cc3ccccc3nc2N2CC[C@@H](OC)C2)[nH]c(C)c(OC)c1=O.
What is the InChIKey of ethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is OHWZJWARRCZWBA-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-5-32-24(29)19-20(25-14(2)22(31-4)21(19)28)17-12-15-8-6-7-9-18(15)26-23(17)27-11-10-16(13-27)30-3/h6-9,12,16H,5,10-11,13H2,1-4H3,(H,25,28)/t16-/m1/s1.
What are the key properties of ethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?
ethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-2-[2-[(3R)-3-methoxypyrrolidin-1-yl]quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 169250519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).