2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione

C18H19ClN2O2 — CID 141472530

IUPAC2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
SMILESCc1ccc(Cl)c(-n2c(N)cc(=O)c3c2CC(C)(C)CC3=O)c1
InChIInChI=1S/C18H19ClN2O2/c1-10-4-5-11(19)12(6-10)21-13-8-18(2,3)9-15(23)17(13)14(22)7-16(21)20/h4-7H,8-9,20H2,1-3H3
InChIKeyNULPCCTTXBZLRX-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.54
Rot. Bonds1

About 2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione

2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione (PubChem CID 141472530) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione.

Molecular Properties

Compound Name2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
PubChem CID141472530
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
SMILESCc1ccc(Cl)c(-n2c(N)cc(=O)c3c2CC(C)(C)CC3=O)c1
InChIInChI=1S/C18H19ClN2O2/c1-10-4-5-11(19)12(6-10)21-13-8-18(2,3)9-15(23)17(13)14(22)7-16(21)20/h4-7H,8-9,20H2,1-3H3
InChIKeyNULPCCTTXBZLRX-UHFFFAOYSA-N
XLogP3.54
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
CID 141472503
1-(2,5-dichlorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 5091282
1-(2-chlorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 607612
1-(2,4-dichlorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 715222
1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole
CID 107629535
1-(3,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 3247774
1-(2,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267551
3,3-dimethyl-5-(4-methylphenyl)-2,4-dihydrobenzo[b]carbazole-1,6,11-trione
CID 72702672
1-(2-chloro-4-iodophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 107605981
3-amino-1-(2-chloro-5-methylphenyl)pyrrolidin-2-one
CID 107636311
N-(2,2,6-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)acetamide
CID 164522904
1-(1H-benzimidazol-2-yl)-3-(2-chloro-4-methylanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 30328455

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione?
The IUPAC name of 2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione (CID 141472530) is 2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione.
What is the SMILES notation for 2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione?
The canonical SMILES for 2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione is Cc1ccc(Cl)c(-n2c(N)cc(=O)c3c2CC(C)(C)CC3=O)c1.
What is the InChIKey of 2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione?
The InChIKey is NULPCCTTXBZLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-10-4-5-11(19)12(6-10)21-13-8-18(2,3)9-15(23)17(13)14(22)7-16(21)20/h4-7H,8-9,20H2,1-3H3.
What are the key properties of 2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione?
2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione has a molecular weight of 330.82 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione is sourced from PubChem (CID 141472530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).