3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone

C20H16N4O2 — CID 110673139

IUPAC3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
SMILESCOc1ccc2cc3c(nc2c1)N(C(=O)c1ccc2nc[nH]c2c1)CC3
InChIInChI=1S/C20H16N4O2/c1-26-15-4-2-12-8-13-6-7-24(19(13)23-17(12)10-15)20(25)14-3-5-16-18(9-14)22-11-21-16/h2-5,8-11H,6-7H2,1H3,(H,21,22)
InChIKeyQNVSECRKIFLAEB-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.32
Rot. Bonds2

About 3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone

3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (PubChem CID 110673139) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
PubChem CID110673139
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
SMILESCOc1ccc2cc3c(nc2c1)N(C(=O)c1ccc2nc[nH]c2c1)CC3
InChIInChI=1S/C20H16N4O2/c1-26-15-4-2-12-8-13-6-7-24(19(13)23-17(12)10-15)20(25)14-3-5-16-18(9-14)22-11-21-16/h2-5,8-11H,6-7H2,1H3,(H,21,22)
InChIKeyQNVSECRKIFLAEB-UHFFFAOYSA-N
XLogP3.32
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996440
(4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996288
(4-methoxyphenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996236
3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one
CID 110673137
methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate
CID 110673152
3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591860
(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(oxolan-2-yl)methanone
CID 110673151
3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone
CID 110742263
[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)phenyl]-piperidin-1-ylmethanone
CID 18859208
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
3H-benzimidazol-5-yl-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 29364445

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (CID 110673139) is 3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone is COc1ccc2cc3c(nc2c1)N(C(=O)c1ccc2nc[nH]c2c1)CC3.
What is the InChIKey of 3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
The InChIKey is QNVSECRKIFLAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-26-15-4-2-12-8-13-6-7-24(19(13)23-17(12)10-15)20(25)14-3-5-16-18(9-14)22-11-21-16/h2-5,8-11H,6-7H2,1H3,(H,21,22).
What are the key properties of 3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone has a molecular weight of 344.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone is sourced from PubChem (CID 110673139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).