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

C20H18N2O2 — CID 20996288

IUPAC(4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCc3cc4ccc(C)cc4nc32)cc1
InChIInChI=1S/C20H18N2O2/c1-13-3-4-15-12-16-9-10-22(19(16)21-18(15)11-13)20(23)14-5-7-17(24-2)8-6-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyLTUVUYXNULFTPO-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.75
Rot. Bonds2

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

(4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (PubChem CID 20996288) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
PubChem CID20996288
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCc3cc4ccc(C)cc4nc32)cc1
InChIInChI=1S/C20H18N2O2/c1-13-3-4-15-12-16-9-10-22(19(16)21-18(15)11-13)20(23)14-5-7-17(24-2)8-6-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyLTUVUYXNULFTPO-UHFFFAOYSA-N
XLogP3.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996236
(3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996440
(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 20996302
3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 110673139
2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one
CID 20996268
(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(oxolan-2-yl)methanone
CID 110673151
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
[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)phenyl]-piperidin-1-ylmethanone
CID 18859208
N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859194
4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide
CID 18859092
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 18859300

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (CID 20996288) is (4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone is COc1ccc(C(=O)N2CCc3cc4ccc(C)cc4nc32)cc1.
What is the InChIKey of (4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
The InChIKey is LTUVUYXNULFTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13-3-4-15-12-16-9-10-22(19(16)21-18(15)11-13)20(23)14-5-7-17(24-2)8-6-14/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone?
(4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone is sourced from PubChem (CID 20996288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).