2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one

C24H19N3O2 — CID 10339804

IUPAC2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one
SMILESCOc1cccc(Nc2c3c(nc4ccccc24)-c2c(C)cc(C)nc2C3=O)c1
InChIInChI=1S/C24H19N3O2/c1-13-11-14(2)25-23-19(13)22-20(24(23)28)21(17-9-4-5-10-18(17)27-22)26-15-7-6-8-16(12-15)29-3/h4-12H,1-3H3,(H,26,27)
InChIKeySNSSFCMMOXXKTO-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.21
Rot. Bonds3

About 2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one

2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one (PubChem CID 10339804) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one.

Molecular Properties

Compound Name2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one
PubChem CID10339804
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one
SMILESCOc1cccc(Nc2c3c(nc4ccccc24)-c2c(C)cc(C)nc2C3=O)c1
InChIInChI=1S/C24H19N3O2/c1-13-11-14(2)25-23-19(13)22-20(24(23)28)21(17-9-4-5-10-18(17)27-22)26-15-7-6-8-16(12-15)29-3/h4-12H,1-3H3,(H,26,27)
InChIKeySNSSFCMMOXXKTO-UHFFFAOYSA-N
XLogP5.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one with MolForge

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Related Compounds

3-[(3-methoxyanilino)methylamino]-2-methylquinazolin-4-one
CID 11266888
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
4-(3-methoxyanilino)-2-methylquinolin-7-ol;hydrochloride
CID 135802999
2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one
CID 3233469
N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
CID 99835658
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
CID 19749444
(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone
CID 105078324
2-N-(2,6-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928423
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one?
The IUPAC name of 2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one (CID 10339804) is 2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one.
What is the SMILES notation for 2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one?
The canonical SMILES for 2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one is COc1cccc(Nc2c3c(nc4ccccc24)-c2c(C)cc(C)nc2C3=O)c1.
What is the InChIKey of 2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one?
The InChIKey is SNSSFCMMOXXKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-13-11-14(2)25-23-19(13)22-20(24(23)28)21(17-9-4-5-10-18(17)27-22)26-15-7-6-8-16(12-15)29-3/h4-12H,1-3H3,(H,26,27).
What are the key properties of 2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one?
2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one has a molecular weight of 381.44 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-12,14-dimethyl-9,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one is sourced from PubChem (CID 10339804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).