6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one

C19H17Cl2N3O2 — CID 158751351

IUPAC6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one
SMILESCc1ccc([C@H](C)CC(=O)Cn2nnc3c(Cl)cc(Cl)cc3c2=O)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-11-3-5-13(6-4-11)12(2)7-15(25)10-24-19(26)16-8-14(20)9-17(21)18(16)22-23-24/h3-6,8-9,12H,7,10H2,1-2H3/t12-/m1/s1
InChIKeyINNFNRRGOMRNJO-GFCCVEGCSA-N
MW390.27 g/mol
LogP4.17
Rot. Bonds5

About 6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one

6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one (PubChem CID 158751351) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one
PubChem CID158751351
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one
SMILESCc1ccc([C@H](C)CC(=O)Cn2nnc3c(Cl)cc(Cl)cc3c2=O)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-11-3-5-13(6-4-11)12(2)7-15(25)10-24-19(26)16-8-14(20)9-17(21)18(16)22-23-24/h3-6,8-9,12H,7,10H2,1-2H3/t12-/m1/s1
InChIKeyINNFNRRGOMRNJO-GFCCVEGCSA-N
XLogP4.17
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one with MolForge

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Related Compounds

6-chloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one
CID 147196887
6,8-dimethyl-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one
CID 147940676
7-methyl-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one
CID 149213098
2-(6,8-dichloro-4-oxo-1,2,3-benzotriazin-3-yl)acetic acid
CID 13442358
7-methoxy-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one
CID 147649986
2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 121349573
2-(8-fluoro-6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 121349717
2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 121349632
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809057
6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one
CID 7628762
2-(7-methoxy-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 121349745

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one (CID 158751351) is 6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one is Cc1ccc([C@H](C)CC(=O)Cn2nnc3c(Cl)cc(Cl)cc3c2=O)cc1.
What is the InChIKey of 6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one?
The InChIKey is INNFNRRGOMRNJO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-11-3-5-13(6-4-11)12(2)7-15(25)10-24-19(26)16-8-14(20)9-17(21)18(16)22-23-24/h3-6,8-9,12H,7,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one?
6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one has a molecular weight of 390.27 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 158751351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).