7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one

C25H21Cl2N7O — CID 142514648

IUPAC7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one
SMILESCc1cc(Nc2ncc3c(=O)n(-c4c(Cl)cccc4Cl)n4ccnc4c3n2)cc2c1CCN(C)C2
InChIInChI=1S/C25H21Cl2N7O/c1-14-10-16(11-15-13-32(2)8-6-17(14)15)30-25-29-12-18-21(31-25)23-28-7-9-33(23)34(24(18)35)22-19(26)4-3-5-20(22)27/h3-5,7,9-12H,6,8,13H2,1-2H3,(H,29,30,31)
InChIKeyGMNOBGDILNUEPK-UHFFFAOYSA-N
MW506.40 g/mol
LogP4.78
Rot. Bonds3

About 7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one

7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one (PubChem CID 142514648) has the molecular formula C25H21Cl2N7O and a molecular weight of 506.40 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one
PubChem CID142514648
Molecular FormulaC25H21Cl2N7O
Molecular Weight506.40 g/mol
Exact Mass505.12
IUPAC Name7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one
SMILESCc1cc(Nc2ncc3c(=O)n(-c4c(Cl)cccc4Cl)n4ccnc4c3n2)cc2c1CCN(C)C2
InChIInChI=1S/C25H21Cl2N7O/c1-14-10-16(11-15-13-32(2)8-6-17(14)15)30-25-29-12-18-21(31-25)23-28-7-9-33(23)34(24(18)35)22-19(26)4-3-5-20(22)27/h3-5,7,9-12H,6,8,13H2,1-2H3,(H,29,30,31)
InChIKeyGMNOBGDILNUEPK-UHFFFAOYSA-N
XLogP4.78
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one with MolForge

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Related Compounds

12-[3-chloro-5-methyl-4-(4-methylpiperazin-1-yl)anilino]-7-(2,6-dichlorophenyl)-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one
CID 142514675
7-(2,6-difluorophenyl)-12-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)anilino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one
CID 142514679
3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione
CID 58289952
6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one
CID 71223923
6-(2-chloro-6-fluorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimido[4,5-d]pyridazin-5-one
CID 71224160
6-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-1-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyrazin-2-yl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
CID 167201960
6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one
CID 71224163
3-(2,6-dichlorophenyl)-2-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 155201665
6-(2,6-dichlorophenyl)-8-(1H-imidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one
CID 71724472
2-ethyl-6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 142557305
6-(2,6-dichlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(6-pyrrolidin-1-yl-2-pyridinyl)pyrimido[4,5-d]pyridazin-5-one
CID 71224299
3-(2,6-dichlorophenyl)-2,2-dimethyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[5,4-e][1,3]oxazin-4-one
CID 155201643

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one?
The IUPAC name of 7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one (CID 142514648) is 7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one?
The canonical SMILES for 7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one is Cc1cc(Nc2ncc3c(=O)n(-c4c(Cl)cccc4Cl)n4ccnc4c3n2)cc2c1CCN(C)C2.
What is the InChIKey of 7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one?
The InChIKey is GMNOBGDILNUEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N7O/c1-14-10-16(11-15-13-32(2)8-6-17(14)15)30-25-29-12-18-21(31-25)23-28-7-9-33(23)34(24(18)35)22-19(26)4-3-5-20(22)27/h3-5,7,9-12H,6,8,13H2,1-2H3,(H,29,30,31).
What are the key properties of 7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one?
7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one has a molecular weight of 506.40 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-12-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one is sourced from PubChem (CID 142514648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).