methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate

C19H21N3O2 — CID 101390827

IUPACmethyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate
SMILESCOC(=O)c1c2c(c(N(C)C)n3c1cc1ccccc13)CCN2C
InChIInChI=1S/C19H21N3O2/c1-20(2)18-13-9-10-21(3)17(13)16(19(23)24-4)15-11-12-7-5-6-8-14(12)22(15)18/h5-8,11H,9-10H2,1-4H3
InChIKeyAOJGRXMVHBXRAE-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.94
Rot. Bonds2

About methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate

methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate (PubChem CID 101390827) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate.

Molecular Properties

Compound Namemethyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate
PubChem CID101390827
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Namemethyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate
SMILESCOC(=O)c1c2c(c(N(C)C)n3c1cc1ccccc13)CCN2C
InChIInChI=1S/C19H21N3O2/c1-20(2)18-13-9-10-21(3)17(13)16(19(23)24-4)15-11-12-7-5-6-8-14(12)22(15)18/h5-8,11H,9-10H2,1-4H3
InChIKeyAOJGRXMVHBXRAE-UHFFFAOYSA-N
XLogP2.94
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate with MolForge

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Related Compounds

2-Substituted indole-3-carboxylate, 27f
CID 44158012
2-Substituted indole-3-carboxylate, 27h
CID 44158013
Methyl 9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57393761
Methyl 9-[3-(4,6-diethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57399010
2-Amino-9-ethyl-3-pyrido[2,3-b]indolecarboxylic acid ethyl ester
CID 878737
2-(Benzyl-ethyl-amino)-4-phenyl-quinoline-3-carboxylic acid ethyl ester
CID 15669491
Methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate
CID 44522834
Methyl 9-[3-[(2-chloro-6-methyl-pyrimidin-4-yl)amino]propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57392040
Methyl 9-[3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxypropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57400728
4-Amino-2,9-dimethyl-9H-pyrido[2,3-b]indole-3-carboxylic acid, ethyl ester
CID 44301274
Ethyl 4-amino-9-benzyl-2-methylpyrido[2,3-b]indole-3-carboxylate
CID 15154312
4-Amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid
CID 15154321

Frequently Asked Questions

What is the IUPAC name of methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate?
The IUPAC name of methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate (CID 101390827) is methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate.
What is the SMILES notation for methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate?
The canonical SMILES for methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate is COC(=O)c1c2c(c(N(C)C)n3c1cc1ccccc13)CCN2C.
What is the InChIKey of methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate?
The InChIKey is AOJGRXMVHBXRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-20(2)18-13-9-10-21(3)17(13)16(19(23)24-4)15-11-12-7-5-6-8-14(12)22(15)18/h5-8,11H,9-10H2,1-4H3.
What are the key properties of methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate?
methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate has a molecular weight of 323.40 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 16-(dimethylamino)-12-methyl-1,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxylate is sourced from PubChem (CID 101390827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).