7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one

C40H32N8O2 — CID 157402767

IUPAC7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3nc(-c4ccnc5ccccc45)[nH]c3cc21.CC1(C)C(=O)Nc2cc3nc(-c4cnc5ccccc5c4)[nH]c3cc21
InChIInChI=1S/2C20H16N4O/c1-20(2)13-8-16-17(9-15(13)24-19(20)25)23-18(22-16)12-7-11-5-3-4-6-14(11)21-10-12;1-20(2)13-9-16-17(10-15(13)24-19(20)25)23-18(22-16)12-7-8-21-14-6-4-3-5-11(12)14/h2*3-10H,1-2H3,(H,22,23)(H,24,25)
InChIKeyBNJBWDFJEGVHLO-UHFFFAOYSA-N
MW656.75 g/mol
LogP8.02
Rot. Bonds2

About 7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one

7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 157402767) has the molecular formula C40H32N8O2 and a molecular weight of 656.75 g/mol. Its IUPAC name is 7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
PubChem CID157402767
Molecular FormulaC40H32N8O2
Molecular Weight656.75 g/mol
Exact Mass656.26
IUPAC Name7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3nc(-c4ccnc5ccccc45)[nH]c3cc21.CC1(C)C(=O)Nc2cc3nc(-c4cnc5ccccc5c4)[nH]c3cc21
InChIInChI=1S/2C20H16N4O/c1-20(2)13-8-16-17(9-15(13)24-19(20)25)23-18(22-16)12-7-11-5-3-4-6-14(11)21-10-12;1-20(2)13-9-16-17(10-15(13)24-19(20)25)23-18(22-16)12-7-8-21-14-6-4-3-5-11(12)14/h2*3-10H,1-2H3,(H,22,23)(H,24,25)
InChIKeyBNJBWDFJEGVHLO-UHFFFAOYSA-N
XLogP8.02
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.75
LogP ≤ 58.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one (CID 157402767) is 7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one is CC1(C)C(=O)Nc2cc3nc(-c4ccnc5ccccc45)[nH]c3cc21.CC1(C)C(=O)Nc2cc3nc(-c4cnc5ccccc5c4)[nH]c3cc21.
What is the InChIKey of 7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is BNJBWDFJEGVHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16N4O/c1-20(2)13-8-16-17(9-15(13)24-19(20)25)23-18(22-16)12-7-11-5-3-4-6-14(11)21-10-12;1-20(2)13-9-16-17(10-15(13)24-19(20)25)23-18(22-16)12-7-8-21-14-6-4-3-5-11(12)14/h2*3-10H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?
7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 656.75 g/mol, XLogP of 8.02, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-quinolin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;7,7-dimethyl-2-quinolin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 157402767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).