6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one

C22H26N2O4 — CID 129246462

IUPAC6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one
SMILESCOc1cc2c(=O)cc(-c3ccc(C)o3)[nH]c2cc1OCCCN1CCCC1
InChIInChI=1S/C22H26N2O4/c1-15-6-7-20(28-15)18-13-19(25)16-12-21(26-2)22(14-17(16)23-18)27-11-5-10-24-8-3-4-9-24/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,23,25)
InChIKeyPCYALGVJNHXSFO-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.97
Rot. Bonds7

About 6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one

6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one (PubChem CID 129246462) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one
PubChem CID129246462
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one
SMILESCOc1cc2c(=O)cc(-c3ccc(C)o3)[nH]c2cc1OCCCN1CCCC1
InChIInChI=1S/C22H26N2O4/c1-15-6-7-20(28-15)18-13-19(25)16-12-21(26-2)22(14-17(16)23-18)27-11-5-10-24-8-3-4-9-24/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,23,25)
InChIKeyPCYALGVJNHXSFO-UHFFFAOYSA-N
XLogP3.97
TPSA67.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 118607473
2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one
CID 130345698
8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrimido[5,4-b]indole
CID 137356427
8-methoxy-1-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 137356382
4-(azetidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-9H-pyrimido[4,5-b]indole
CID 137356284
3-cyclopropyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole;hydrochloride
CID 137356805
1-fluoro-8-methoxy-3-methyl-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 166723373
4-cyclopentyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-9H-pyrimido[4,5-b]indole
CID 137356172
2-(3,4-dimethoxyphenyl)-7-(8-pyrrolidin-1-yloctoxy)chromen-4-one
CID 127036654
N,N-diethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indol-1-amine
CID 137356420
(3S)-1-[8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indol-1-yl]pyrrolidin-3-ol
CID 137356473
6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine
CID 118613725

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one?
The IUPAC name of 6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one (CID 129246462) is 6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one.
What is the SMILES notation for 6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one?
The canonical SMILES for 6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one is COc1cc2c(=O)cc(-c3ccc(C)o3)[nH]c2cc1OCCCN1CCCC1.
What is the InChIKey of 6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one?
The InChIKey is PCYALGVJNHXSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-6-7-20(28-15)18-13-19(25)16-12-21(26-2)22(14-17(16)23-18)27-11-5-10-24-8-3-4-9-24/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,23,25).
What are the key properties of 6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one?
6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one has a molecular weight of 382.46 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one is sourced from PubChem (CID 129246462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).