5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione

C20H19ClN2O2 — CID 155472037

IUPAC5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
SMILESCCCC(C)c1cc2n(c1)C(=O)c1c-2n(C)c2ccc(Cl)cc2c1=O
InChIInChI=1S/C20H19ClN2O2/c1-4-5-11(2)12-8-16-18-17(20(25)23(16)10-12)19(24)14-9-13(21)6-7-15(14)22(18)3/h6-11H,4-5H2,1-3H3
InChIKeyLXFJECCZYQEOKJ-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.57
Rot. Bonds3

About 5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione

5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione (PubChem CID 155472037) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione.

Molecular Properties

Compound Name5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
PubChem CID155472037
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
SMILESCCCC(C)c1cc2n(c1)C(=O)c1c-2n(C)c2ccc(Cl)cc2c1=O
InChIInChI=1S/C20H19ClN2O2/c1-4-5-11(2)12-8-16-18-17(20(25)23(16)10-12)19(24)14-9-13(21)6-7-15(14)22(18)3/h6-11H,4-5H2,1-3H3
InChIKeyLXFJECCZYQEOKJ-UHFFFAOYSA-N
XLogP4.57
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione with MolForge

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Related Compounds

5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
CID 155762214
6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 162436443
3-chloro-5-methylindeno[2,1-b]quinoline-6,11-dione
CID 122194424
2-(5-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117121064
6-chloro-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
CID 13258370
7-chloro-3-ethylsulfanyl-1-methylquinolin-4-one
CID 13188128
6-chloro-4-oxo-1-pentylquinoline-3-carboxylic acid
CID 23635151
6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
CID 117262430
(2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid
CID 124518181
6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262610
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate
CID 115073226

Frequently Asked Questions

What is the IUPAC name of 5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The IUPAC name of 5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione (CID 155472037) is 5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione.
What is the SMILES notation for 5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The canonical SMILES for 5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione is CCCC(C)c1cc2n(c1)C(=O)c1c-2n(C)c2ccc(Cl)cc2c1=O.
What is the InChIKey of 5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The InChIKey is LXFJECCZYQEOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-4-5-11(2)12-8-16-18-17(20(25)23(16)10-12)19(24)14-9-13(21)6-7-15(14)22(18)3/h6-11H,4-5H2,1-3H3.
What are the key properties of 5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione has a molecular weight of 354.84 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-9-methyl-13-pentan-2-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione is sourced from PubChem (CID 155472037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).