8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C23H26N2O5 — CID 171387375

IUPAC8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=C1CC(c2ccc(OCCCN3CCOCC3)cc2)c2cc3c(cc2N1)OCO3
InChIInChI=1S/C23H26N2O5/c26-23-13-18(19-12-21-22(30-15-29-21)14-20(19)24-23)16-2-4-17(5-3-16)28-9-1-6-25-7-10-27-11-8-25/h2-5,12,14,18H,1,6-11,13,15H2,(H,24,26)
InChIKeyLGJSFHCOXRWNTA-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.99
Rot. Bonds6

About 8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 171387375) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID171387375
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=C1CC(c2ccc(OCCCN3CCOCC3)cc2)c2cc3c(cc2N1)OCO3
InChIInChI=1S/C23H26N2O5/c26-23-13-18(19-12-21-22(30-15-29-21)14-20(19)24-23)16-2-4-17(5-3-16)28-9-1-6-25-7-10-27-11-8-25/h2-5,12,14,18H,1,6-11,13,15H2,(H,24,26)
InChIKeyLGJSFHCOXRWNTA-UHFFFAOYSA-N
XLogP2.99
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one with MolForge

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Related Compounds

6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171389319
(8R)-8-(4-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 7248717
(8S)-8-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1252620
9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2984139
8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 169413926
9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 4078264
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
CID 3071135
(4S)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 707554
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
8-(4-fluoro-2-hydroxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50948929
(8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 40645352
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 171387375) is 8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is O=C1CC(c2ccc(OCCCN3CCOCC3)cc2)c2cc3c(cc2N1)OCO3.
What is the InChIKey of 8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is LGJSFHCOXRWNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c26-23-13-18(19-12-21-22(30-15-29-21)14-20(19)24-23)16-2-4-17(5-3-16)28-9-1-6-25-7-10-27-11-8-25/h2-5,12,14,18H,1,6-11,13,15H2,(H,24,26).
What are the key properties of 8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 410.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 171387375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).