(3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone

C21H20N2O4 — CID 20996440

IUPAC(3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
SMILESCOc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(OC)c(OC)c1)CC3
InChIInChI=1S/C21H20N2O4/c1-25-16-6-4-13-10-14-8-9-23(20(14)22-17(13)12-16)21(24)15-5-7-18(26-2)19(11-15)27-3/h4-7,10-12H,8-9H2,1-3H3
InChIKeyQOOKNSCTSMCWBX-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.46
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone

(3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (PubChem CID 20996440) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
PubChem CID20996440
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
SMILESCOc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(OC)c(OC)c1)CC3
InChIInChI=1S/C21H20N2O4/c1-25-16-6-4-13-10-14-8-9-23(20(14)22-17(13)12-16)21(24)15-5-7-18(26-2)19(11-15)27-3/h4-7,10-12H,8-9H2,1-3H3
InChIKeyQOOKNSCTSMCWBX-UHFFFAOYSA-N
XLogP3.46
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone with MolForge

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Related Compounds

3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 110673139
(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
(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(oxolan-2-yl)methanone
CID 110673151
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859173
[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)phenyl]-piperidin-1-ylmethanone
CID 18859208
N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide
CID 18859307
2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid
CID 18859318
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 18859300
(3,4-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314239

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (CID 20996440) is (3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone is COc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(OC)c(OC)c1)CC3.
What is the InChIKey of (3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
The InChIKey is QOOKNSCTSMCWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-25-16-6-4-13-10-14-8-9-23(20(14)22-17(13)12-16)21(24)15-5-7-18(26-2)19(11-15)27-3/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
(3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone has a molecular weight of 364.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone is sourced from PubChem (CID 20996440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).