11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione

C23H16ClNO3 — CID 172635698

IUPAC11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione
SMILESCOc1ccc2c(c1)CC1(c3ccc(Cl)cc3)C(=O)c3ccccc3N1C2=O
InChIInChI=1S/C23H16ClNO3/c1-28-17-10-11-18-14(12-17)13-23(15-6-8-16(24)9-7-15)21(26)19-4-2-3-5-20(19)25(23)22(18)27/h2-12H,13H2,1H3
InChIKeyBJVRBRNRRRGMKN-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.64
Rot. Bonds2

About 11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione

11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione (PubChem CID 172635698) has the molecular formula C23H16ClNO3 and a molecular weight of 389.84 g/mol. Its IUPAC name is 11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione.

Molecular Properties

Compound Name11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione
PubChem CID172635698
Molecular FormulaC23H16ClNO3
Molecular Weight389.84 g/mol
Exact Mass389.08
IUPAC Name11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione
SMILESCOc1ccc2c(c1)CC1(c3ccc(Cl)cc3)C(=O)c3ccccc3N1C2=O
InChIInChI=1S/C23H16ClNO3/c1-28-17-10-11-18-14(12-17)13-23(15-6-8-16(24)9-7-15)21(26)19-4-2-3-5-20(19)25(23)22(18)27/h2-12H,13H2,1H3
InChIKeyBJVRBRNRRRGMKN-UHFFFAOYSA-N
XLogP4.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
(1aR,7bR)-1a-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,7b-dihydrocyclopropa[c]isoquinolin-3-one
CID 132604769
2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione
CID 168519707
(3R)-2-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089346
8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
CID 67918755
4-[(4-methoxyphenyl)methyl]-3a-(4-propan-2-ylphenyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 139218315
13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one
CID 14874013
10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione
CID 59156839
(2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one
CID 6048945
6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 11043266
1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione
CID 61356917
ethane;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 90841573

Frequently Asked Questions

What is the IUPAC name of 11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione?
The IUPAC name of 11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione (CID 172635698) is 11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione.
What is the SMILES notation for 11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione?
The canonical SMILES for 11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione is COc1ccc2c(c1)CC1(c3ccc(Cl)cc3)C(=O)c3ccccc3N1C2=O.
What is the InChIKey of 11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione?
The InChIKey is BJVRBRNRRRGMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO3/c1-28-17-10-11-18-14(12-17)13-23(15-6-8-16(24)9-7-15)21(26)19-4-2-3-5-20(19)25(23)22(18)27/h2-12H,13H2,1H3.
What are the key properties of 11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione?
11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione has a molecular weight of 389.84 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11a-(4-chlorophenyl)-9-methoxy-11H-indolo[1,2-b]isoquinoline-6,12-dione is sourced from PubChem (CID 172635698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).