8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one

C28H31N3O — CID 6618250

IUPAC8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
SMILESCCN(CC)c1ccc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C28H31N3O/c1-5-31(6-2)19-11-9-18(10-12-19)27-26-21(16-28(3,4)17-24(26)32)25-20-8-7-15-29-22(20)13-14-23(25)30-27/h7-15,27,30H,5-6,16-17H2,1-4H3
InChIKeyVSICIECRBYHMGG-UHFFFAOYSA-N
MW425.58 g/mol
LogP6.39
Rot. Bonds4

About 8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one

8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one (PubChem CID 6618250) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is 8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one.

Molecular Properties

Compound Name8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
PubChem CID6618250
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
SMILESCCN(CC)c1ccc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C28H31N3O/c1-5-31(6-2)19-11-9-18(10-12-19)27-26-21(16-28(3,4)17-24(26)32)25-20-8-7-15-29-22(20)13-14-23(25)30-27/h7-15,27,30H,5-6,16-17H2,1-4H3
InChIKeyVSICIECRBYHMGG-UHFFFAOYSA-N
XLogP6.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one with MolForge

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Related Compounds

N-(quinolin-6-yl)benzamide
CID 833617
3-Amino-n-(isoquinolin-6-yl)-2-phenylpropanamide
CID 46183900
3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide
CID 59563759
(2S)-3-amino-N-isoquinolin-6-yl-2-phenylpropanamide
CID 127031527
3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide
CID 127031536
4-methyl-N-quinolin-6-ylbenzamide
CID 1506500
4-butyl-N-isoquinolin-5-ylbenzamide
CID 44450355
5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one
CID 135567453
9-amino-7H-dibenzo[de,h]quinolin-7-one
CID 44440937
3-(1-methylpiperidin-1-ium-1-yl)-N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)propanamide iodide
CID 44128085
N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2386554
8-(3-methylthiophen-2-yl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 619419

Frequently Asked Questions

What is the IUPAC name of 8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
The IUPAC name of 8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one (CID 6618250) is 8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one.
What is the SMILES notation for 8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
The canonical SMILES for 8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one is CCN(CC)c1ccc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
The InChIKey is VSICIECRBYHMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-5-31(6-2)19-11-9-18(10-12-19)27-26-21(16-28(3,4)17-24(26)32)25-20-8-7-15-29-22(20)13-14-23(25)30-27/h7-15,27,30H,5-6,16-17H2,1-4H3.
What are the key properties of 8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one has a molecular weight of 425.58 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(diethylamino)phenyl]-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one is sourced from PubChem (CID 6618250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).