7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one

C20H23N3O3 — CID 171911501

IUPAC7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cncc(C2CC(=O)Nc3cc(OC)c(N4CCCC4)cc32)c1
InChIInChI=1S/C20H23N3O3/c1-25-14-7-13(11-21-12-14)15-9-20(24)22-17-10-19(26-2)18(8-16(15)17)23-5-3-4-6-23/h7-8,10-12,15H,3-6,9H2,1-2H3,(H,22,24)
InChIKeyMNYRGTPQUIKQLA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.17
Rot. Bonds4

About 7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one

7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 171911501) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID171911501
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cncc(C2CC(=O)Nc3cc(OC)c(N4CCCC4)cc32)c1
InChIInChI=1S/C20H23N3O3/c1-25-14-7-13(11-21-12-14)15-9-20(24)22-17-10-19(26-2)18(8-16(15)17)23-5-3-4-6-23/h7-8,10-12,15H,3-6,9H2,1-2H3,(H,22,24)
InChIKeyMNYRGTPQUIKQLA-UHFFFAOYSA-N
XLogP3.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one (CID 171911501) is 7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one is COc1cncc(C2CC(=O)Nc3cc(OC)c(N4CCCC4)cc32)c1.
What is the InChIKey of 7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MNYRGTPQUIKQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-25-14-7-13(11-21-12-14)15-9-20(24)22-17-10-19(26-2)18(8-16(15)17)23-5-3-4-6-23/h7-8,10-12,15H,3-6,9H2,1-2H3,(H,22,24).
What are the key properties of 7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 353.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(5-methoxy-3-pyridinyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 171911501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).