9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide

C12H7Cl2N3O2 — CID 56946085

IUPAC9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide
SMILESCN1C(=O)c2cc(C(N)=O)nc3c(Cl)cc(Cl)c1c23
InChIInChI=1S/C12H7Cl2N3O2/c1-17-10-6(14)3-5(13)9-8(10)4(12(17)19)2-7(16-9)11(15)18/h2-3H,1H3,(H2,15,18)
InChIKeyHCTAXGHYYHCNPW-UHFFFAOYSA-N
MW296.11 g/mol
LogP2.23
Rot. Bonds1

About 9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide

9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide (PubChem CID 56946085) has the molecular formula C12H7Cl2N3O2 and a molecular weight of 296.11 g/mol. Its IUPAC name is 9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide.

Molecular Properties

Compound Name9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide
PubChem CID56946085
Molecular FormulaC12H7Cl2N3O2
Molecular Weight296.11 g/mol
Exact Mass294.99
IUPAC Name9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide
SMILESCN1C(=O)c2cc(C(N)=O)nc3c(Cl)cc(Cl)c1c23
InChIInChI=1S/C12H7Cl2N3O2/c1-17-10-6(14)3-5(13)9-8(10)4(12(17)19)2-7(16-9)11(15)18/h2-3H,1H3,(H2,15,18)
InChIKeyHCTAXGHYYHCNPW-UHFFFAOYSA-N
XLogP2.23
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide with MolForge

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Related Compounds

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CID 25113669
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CID 54765330
1-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]piperidine-4-carboxamide
CID 4619062
(5,7-dichloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 9944571
N-[(3-Chlorophenyl)methyl]-2-cyclohexyl-3-oxo-1H,2H,3H-pyrrolo[3,4-B]quinoline-9-carboxamide
CID 16026239
N-benzyl-9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide
CID 56946186
8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide
CID 56700762
9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide
CID 56946187
2-(7-chloro-1-oxo-9-phenyl-3H-pyrrolo[3,4-b]quinolin-2-yl)-2-methylpropanamide
CID 168276930
8-Amino-7-Chloro-1-Methyl-6-(Methylideneamino)-2-Oxo-1,2-Dihydropyrrolo[4,3,2-De]quinoline-4-Carboxamide
CID 137348209
6-chloro-7-fluoro-2-N-methyl-4-N-[(3E,5Z)-2,3,5-trimethylocta-3,5-dien-4-yl]quinoline-2,4-dicarboxamide
CID 144865407
N-(2-Chlorophenyl)-2-cyclohexyl-3-oxo-1H,2H,3H-pyrrolo[3,4-B]quinoline-9-carboxamide
CID 46338479

Frequently Asked Questions

What is the IUPAC name of 9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide?
The IUPAC name of 9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide (CID 56946085) is 9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide.
What is the SMILES notation for 9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide?
The canonical SMILES for 9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide is CN1C(=O)c2cc(C(N)=O)nc3c(Cl)cc(Cl)c1c23.
What is the InChIKey of 9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide?
The InChIKey is HCTAXGHYYHCNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O2/c1-17-10-6(14)3-5(13)9-8(10)4(12(17)19)2-7(16-9)11(15)18/h2-3H,1H3,(H2,15,18).
What are the key properties of 9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide?
9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide has a molecular weight of 296.11 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide is sourced from PubChem (CID 56946085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).