(N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate

C25H25N3O4 — CID 88511074

IUPAC(N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate
SMILESCNC(=O)OCN(c1ccccc1)c1c(OC)c(OC)cc2nc3ccc(C)cc3cc12
InChIInChI=1S/C25H25N3O4/c1-16-10-11-20-17(12-16)13-19-21(27-20)14-22(30-3)24(31-4)23(19)28(15-32-25(29)26-2)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,26,29)
InChIKeyQJAJKDQMVFJHMH-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.17
Rot. Bonds6

About (N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate

(N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate (PubChem CID 88511074) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is (N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate.

Molecular Properties

Compound Name(N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate
PubChem CID88511074
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name(N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate
SMILESCNC(=O)OCN(c1ccccc1)c1c(OC)c(OC)cc2nc3ccc(C)cc3cc12
InChIInChI=1S/C25H25N3O4/c1-16-10-11-20-17(12-16)13-19-21(27-20)14-22(30-3)24(31-4)23(19)28(15-32-25(29)26-2)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,26,29)
InChIKeyQJAJKDQMVFJHMH-UHFFFAOYSA-N
XLogP5.17
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate
CID 88511106
[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749120
[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749250
2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749338
2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749249
2-[3-[(2,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749513
2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749390
[4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate
CID 54470782
[1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate
CID 55466850
2-[4-[(3-methoxy-2,7-dimethylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749407
N',N'-diphenyl-2-(3,4,5-trimethoxyphenyl)acetohydrazide
CID 7927150
phenyl N-(2,6-dimethylquinolin-3-yl)carbamate
CID 155691129

Frequently Asked Questions

What is the IUPAC name of (N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate?
The IUPAC name of (N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate (CID 88511074) is (N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate.
What is the SMILES notation for (N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate?
The canonical SMILES for (N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate is CNC(=O)OCN(c1ccccc1)c1c(OC)c(OC)cc2nc3ccc(C)cc3cc12.
What is the InChIKey of (N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate?
The InChIKey is QJAJKDQMVFJHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-16-10-11-20-17(12-16)13-19-21(27-20)14-22(30-3)24(31-4)23(19)28(15-32-25(29)26-2)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,26,29).
What are the key properties of (N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate?
(N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate has a molecular weight of 431.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate is sourced from PubChem (CID 88511074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).