9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen

C24H27NOS — CID 145288384

IUPAC9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen
SMILESCc1ccsc1C1C2=C(CC(C)(C)CC2=O)Nc2ccc3c(c21)C=CCC3.[H][H]
InChIInChI=1S/C24H25NOS.H2/c1-14-10-11-27-23(14)22-20-16-7-5-4-6-15(16)8-9-17(20)25-18-12-24(2,3)13-19(26)21(18)22;/h5,7-11,22,25H,4,6,12-13H2,1-3H3;1H
InChIKeyIKAHILUAMONCIO-UHFFFAOYSA-N
MW377.55 g/mol
LogP6.46
Rot. Bonds1

About 9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen

9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen (PubChem CID 145288384) has the molecular formula C24H27NOS and a molecular weight of 377.55 g/mol. Its IUPAC name is 9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen.

Molecular Properties

Compound Name9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen
PubChem CID145288384
Molecular FormulaC24H27NOS
Molecular Weight377.55 g/mol
Exact Mass377.18
IUPAC Name9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen
SMILESCc1ccsc1C1C2=C(CC(C)(C)CC2=O)Nc2ccc3c(c21)C=CCC3.[H][H]
InChIInChI=1S/C24H25NOS.H2/c1-14-10-11-27-23(14)22-20-16-7-5-4-6-15(16)8-9-17(20)25-18-12-24(2,3)13-19(26)21(18)22;/h5,7-11,22,25H,4,6,12-13H2,1-3H3;1H
InChIKeyIKAHILUAMONCIO-UHFFFAOYSA-N
XLogP6.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.55
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen with MolForge

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Related Compounds

12-(1-benzothiophen-2-yl)-9,9-dimethyl-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one
CID 145288336
(6R)-2,3,9,9-tetramethyl-6-(3-methylthiophen-2-yl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 1476855
(4S)-1-(3-chlorophenyl)-3,7,7-trimethyl-4-(3-methylthiophen-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 135878545
N-(4-fluorophenyl)-2,7,7-trimethyl-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3475823
N-(2-fluorophenyl)-2,7,7-trimethyl-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 23889132
9,9-dimethyl-12-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 2945972
N-(5-bromo-2-pyridinyl)-2,7,7-trimethyl-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3301431
(4S)-4-(3-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 42548977
(12S)-9,9-dimethyl-12-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 7480480
9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one
CID 140930896
3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 985441
9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one
CID 140930947

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen?
The IUPAC name of 9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen (CID 145288384) is 9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen.
What is the SMILES notation for 9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen?
The canonical SMILES for 9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen is Cc1ccsc1C1C2=C(CC(C)(C)CC2=O)Nc2ccc3c(c21)C=CCC3.[H][H].
What is the InChIKey of 9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen?
The InChIKey is IKAHILUAMONCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NOS.H2/c1-14-10-11-27-23(14)22-20-16-7-5-4-6-15(16)8-9-17(20)25-18-12-24(2,3)13-19(26)21(18)22;/h5,7-11,22,25H,4,6,12-13H2,1-3H3;1H.
What are the key properties of 9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen?
9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen has a molecular weight of 377.55 g/mol, XLogP of 6.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-12-(3-methylthiophen-2-yl)-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one;molecular hydrogen is sourced from PubChem (CID 145288384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).