1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one

C24H40N3O2P — CID 167114808

IUPAC1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one
SMILESCNP(C)COCCCCCCCCCCN(C)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C24H40N3O2P/c1-25-30(4)20-29-18-14-10-8-6-5-7-9-13-17-26(2)23-19-24(28)27(3)22-16-12-11-15-21(22)23/h11-12,15-16,19,25H,5-10,13-14,17-18,20H2,1-4H3
InChIKeyWCKIBPZZODZLIH-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.32
Rot. Bonds15

About 1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one

1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one (PubChem CID 167114808) has the molecular formula C24H40N3O2P and a molecular weight of 433.58 g/mol. Its IUPAC name is 1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one
PubChem CID167114808
Molecular FormulaC24H40N3O2P
Molecular Weight433.58 g/mol
Exact Mass433.29
IUPAC Name1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one
SMILESCNP(C)COCCCCCCCCCCN(C)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C24H40N3O2P/c1-25-30(4)20-29-18-14-10-8-6-5-7-9-13-17-26(2)23-19-24(28)27(3)22-16-12-11-15-21(22)23/h11-12,15-16,19,25H,5-10,13-14,17-18,20H2,1-4H3
InChIKeyWCKIBPZZODZLIH-UHFFFAOYSA-N
XLogP5.32
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one
CID 81237099
4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one
CID 81237815
4-(diethylamino)-1-methylquinolin-2-one
CID 121227285
1-methyl-4-[methyl(pyridin-4-yl)amino]quinolin-2-one
CID 163562663
1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one
CID 81244191
4-(5-hydroxypentylamino)-1-methylquinolin-2-one
CID 107318105
4-(butylamino)-1-methylquinolin-2-one
CID 81244865
4-(cyclobutylamino)-1-methylquinolin-2-one
CID 81244035
(1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate
CID 2786360
1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one
CID 81244474
N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 20862027
3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide
CID 81243850

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one?
The IUPAC name of 1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one (CID 167114808) is 1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one is CNP(C)COCCCCCCCCCCN(C)c1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one?
The InChIKey is WCKIBPZZODZLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N3O2P/c1-25-30(4)20-29-18-14-10-8-6-5-7-9-13-17-26(2)23-19-24(28)27(3)22-16-12-11-15-21(22)23/h11-12,15-16,19,25H,5-10,13-14,17-18,20H2,1-4H3.
What are the key properties of 1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one?
1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one has a molecular weight of 433.58 g/mol, XLogP of 5.32, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[methyl-[10-[[methyl(methylamino)phosphanyl]methoxy]decyl]amino]quinolin-2-one is sourced from PubChem (CID 167114808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).