7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C23H25N3O3 — CID 43817704

IUPAC7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCC1CCCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)C1
InChIInChI=1S/C23H25N3O3/c1-15-3-2-8-26(13-15)19-6-4-18(5-7-19)24-12-17-9-16-10-21-22(29-14-28-21)11-20(16)25-23(17)27/h4-7,9-11,15,24H,2-3,8,12-14H2,1H3,(H,25,27)
InChIKeyRTGJEUCBKKRFRC-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.11
Rot. Bonds4

About 7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 43817704) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID43817704
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCC1CCCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)C1
InChIInChI=1S/C23H25N3O3/c1-15-3-2-8-26(13-15)19-6-4-18(5-7-19)24-12-17-9-16-10-21-22(29-14-28-21)11-20(16)25-23(17)27/h4-7,9-11,15,24H,2-3,8,12-14H2,1H3,(H,25,27)
InChIKeyRTGJEUCBKKRFRC-UHFFFAOYSA-N
XLogP4.11
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 23857776
6-tert-butyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46950100
ethyl 1-[4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]piperidine-3-carboxylate
CID 110236711
3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 95855654
3-[[4-(3,5-dimethylpiperidin-1-yl)anilino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 11531553
3-[[4-(3,5-dimethylpiperidin-1-yl)anilino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 46950123
3-[(1,3-benzodioxol-5-ylamino)methyl]-6-propyl-1H-quinolin-2-one
CID 95855587
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
CID 3195061
8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 46958621
5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46950102
methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate
CID 95221558
3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 11625042

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 43817704) is 7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is CC1CCCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)C1.
What is the InChIKey of 7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is RTGJEUCBKKRFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-3-2-8-26(13-15)19-6-4-18(5-7-19)24-12-17-9-16-10-21-22(29-14-28-21)11-20(16)25-23(17)27/h4-7,9-11,15,24H,2-3,8,12-14H2,1H3,(H,25,27).
What are the key properties of 7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 391.47 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(3-methylpiperidin-1-yl)anilino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 43817704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).