(N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate

C24H23N3O4 — CID 88511106

IUPAC(N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate
SMILESCNC(=O)OCN(c1ccccc1)c1c(OC)ccc2nc3ccc(OC)cc3cc12
InChIInChI=1S/C24H23N3O4/c1-25-24(28)31-15-27(17-7-5-4-6-8-17)23-19-14-16-13-18(29-2)9-10-20(16)26-21(19)11-12-22(23)30-3/h4-14H,15H2,1-3H3,(H,25,28)
InChIKeyFKCWJSPQRKICGB-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.86
Rot. Bonds6

About (N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate

(N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate (PubChem CID 88511106) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is (N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate.

Molecular Properties

Compound Name(N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate
PubChem CID88511106
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name(N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate
SMILESCNC(=O)OCN(c1ccccc1)c1c(OC)ccc2nc3ccc(OC)cc3cc12
InChIInChI=1S/C24H23N3O4/c1-25-24(28)31-15-27(17-7-5-4-6-8-17)23-19-14-16-13-18(29-2)9-10-20(16)26-21(19)11-12-22(23)30-3/h4-14H,15H2,1-3H3,(H,25,28)
InChIKeyFKCWJSPQRKICGB-UHFFFAOYSA-N
XLogP4.86
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.86
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-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate
CID 88511074
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749110
(E)-3-(2,4-dimethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 37315728
naphthalen-1-yl 6-methoxyquinoline-2-carboxylate
CID 24585728
6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide
CID 6621724
[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749250
(6-methoxyquinolin-3-yl)-phenylmethanone
CID 102416724
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
CID 19692233
(1-anilino-2,7-dimethoxyacridin-3-yl)methanol
CID 88511040
N-[2-(N-(3-methoxyphenyl)anilino)ethyl]butanamide
CID 24750071
bis(1-benzoyl-7-methoxynaphthalen-2-yl) benzene-1,4-dicarboxylate
CID 139085404

Frequently Asked Questions

What is the IUPAC name of (N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate?
The IUPAC name of (N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate (CID 88511106) is (N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate.
What is the SMILES notation for (N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate?
The canonical SMILES for (N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate is CNC(=O)OCN(c1ccccc1)c1c(OC)ccc2nc3ccc(OC)cc3cc12.
What is the InChIKey of (N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate?
The InChIKey is FKCWJSPQRKICGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-25-24(28)31-15-27(17-7-5-4-6-8-17)23-19-14-16-13-18(29-2)9-10-20(16)26-21(19)11-12-22(23)30-3/h4-14H,15H2,1-3H3,(H,25,28).
What are the key properties of (N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate?
(N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate has a molecular weight of 417.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (N-(2,7-dimethoxyacridin-1-yl)anilino)methyl N-methylcarbamate is sourced from PubChem (CID 88511106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).