9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine

C37H30Cl3FN4O2 — CID 160921016

IUPAC9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine
SMILESCN(C)c1nc2ccccc2c2c1-c1ccc(Cl)cc1C2=O.CNC.O=C1c2cc(Cl)ccc2-c2c(Cl)nc3ccccc3c21.[2H]CF
InChIInChI=1S/C18H13ClN2O.C16H7Cl2NO.C2H7N.CH3F/c1-21(2)18-16-11-8-7-10(19)9-13(11)17(22)15(16)12-5-3-4-6-14(12)20-18;17-8-5-6-9-11(7-8)15(20)13-10-3-1-2-4-12(10)19-16(18)14(9)13;1-3-2;1-2/h3-9H,1-2H3;1-7H;3H,1-2H3;1H3/i;;;1D
InChIKeySSAKMTVHKAZSES-PBJKEDEQSA-N
MW689.04 g/mol
LogP9.34
Rot. Bonds1

About 9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine

9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine (PubChem CID 160921016) has the molecular formula C37H30Cl3FN4O2 and a molecular weight of 689.04 g/mol. Its IUPAC name is 9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine.

Molecular Properties

Compound Name9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine
PubChem CID160921016
Molecular FormulaC37H30Cl3FN4O2
Molecular Weight689.04 g/mol
Exact Mass687.15
IUPAC Name9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine
SMILESCN(C)c1nc2ccccc2c2c1-c1ccc(Cl)cc1C2=O.CNC.O=C1c2cc(Cl)ccc2-c2c(Cl)nc3ccccc3c21.[2H]CF
InChIInChI=1S/C18H13ClN2O.C16H7Cl2NO.C2H7N.CH3F/c1-21(2)18-16-11-8-7-10(19)9-13(11)17(22)15(16)12-5-3-4-6-14(12)20-18;17-8-5-6-9-11(7-8)15(20)13-10-3-1-2-4-12(10)19-16(18)14(9)13;1-3-2;1-2/h3-9H,1-2H3;1-7H;3H,1-2H3;1H3/i;;;1D
InChIKeySSAKMTVHKAZSES-PBJKEDEQSA-N
XLogP9.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.04
LogP ≤ 59.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine with MolForge

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Related Compounds

9-chloro-6-methoxyindeno[1,2-c]quinolin-11-one
CID 118223477
6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one
CID 118223493
9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one
CID 118223476
9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one
CID 54675009
6-chloro-3-methylindeno[2,1-c]quinolin-7-one
CID 19356118
1-N-(2-chloroacridin-9-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 177371668
7-chloro-1-(methylamino)anthracene-9,10-dione
CID 71399366
6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
CID 59212969
4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine
CID 80773567
4-(2,5-dichlorophenyl)-2-methylquinoline
CID 118801749
9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
CID 54673288
6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione
CID 141466090

Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine?
The IUPAC name of 9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine (CID 160921016) is 9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine.
What is the SMILES notation for 9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine?
The canonical SMILES for 9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine is CN(C)c1nc2ccccc2c2c1-c1ccc(Cl)cc1C2=O.CNC.O=C1c2cc(Cl)ccc2-c2c(Cl)nc3ccccc3c21.[2H]CF.
What is the InChIKey of 9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine?
The InChIKey is SSAKMTVHKAZSES-PBJKEDEQSA-N. The full InChI is InChI=1S/C18H13ClN2O.C16H7Cl2NO.C2H7N.CH3F/c1-21(2)18-16-11-8-7-10(19)9-13(11)17(22)15(16)12-5-3-4-6-14(12)20-18;17-8-5-6-9-11(7-8)15(20)13-10-3-1-2-4-12(10)19-16(18)14(9)13;1-3-2;1-2/h3-9H,1-2H3;1-7H;3H,1-2H3;1H3/i;;;1D.
What are the key properties of 9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine?
9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine has a molecular weight of 689.04 g/mol, XLogP of 9.34, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-(dimethylamino)indeno[1,2-c]quinolin-11-one;deuterio(fluoro)methane;6,9-dichloroindeno[1,2-c]quinolin-11-one;N-methylmethanamine is sourced from PubChem (CID 160921016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).