8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

C20H16N2OS — CID 619417

IUPAC8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESO=C1CCCC2=C1C(c1cccs1)Nc1ccc3ncccc3c12
InChIInChI=1S/C20H16N2OS/c23-16-6-1-4-13-18-12-5-2-10-21-14(12)8-9-15(18)22-20(19(13)16)17-7-3-11-24-17/h2-3,5,7-11,20,22H,1,4,6H2
InChIKeyJJTHTXHIRXGBTR-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.97
Rot. Bonds1

About 8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (PubChem CID 619417) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.

Molecular Properties

Compound Name8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
PubChem CID619417
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESO=C1CCCC2=C1C(c1cccs1)Nc1ccc3ncccc3c12
InChIInChI=1S/C20H16N2OS/c23-16-6-1-4-13-18-12-5-2-10-21-14(12)8-9-15(18)22-20(19(13)16)17-7-3-11-24-17/h2-3,5,7-11,20,22H,1,4,6H2
InChIKeyJJTHTXHIRXGBTR-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one with MolForge

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Related Compounds

8-(3-methylthiophen-2-yl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 619419
11,11-Dimethyl-8-(2-thienyl)-8,10,11,12-tetrahydrobenzo[a][4,7]phenanthrolin-9(7H)-one
CID 624106
11,11-Dimethyl-8-(3-methylthiophen-2-yl)-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
CID 624107
N-propan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 673634
N-butan-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4337674
(2E)-3-(Quinolin-4-YL)-1-(thiophen-2-YL)prop-2-EN-1-one
CID 5739531
2-oxo-N-quinolin-6-yl-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide
CID 11069642
2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide
CID 11825770
2-Ethylsulfanylcarbothioylsulfanyl-1-[5-[5-[(quinolin-3-ylamino)methyl]-2-pyridinyl]thiophen-2-yl]ethanone
CID 24895117
N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 25343670
2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56670463
Isoquinolino[4,3-f]quinolin-9(10H)-one, 7,8,11,12-tetrahydro-8-(4-fluorophenyl)-
CID 554582

Frequently Asked Questions

What is the IUPAC name of 8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The IUPAC name of 8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (CID 619417) is 8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.
What is the SMILES notation for 8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The canonical SMILES for 8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is O=C1CCCC2=C1C(c1cccs1)Nc1ccc3ncccc3c12.
What is the InChIKey of 8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The InChIKey is JJTHTXHIRXGBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c23-16-6-1-4-13-18-12-5-2-10-21-14(12)8-9-15(18)22-20(19(13)16)17-7-3-11-24-17/h2-3,5,7-11,20,22H,1,4,6H2.
What are the key properties of 8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one has a molecular weight of 332.43 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is sourced from PubChem (CID 619417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).