4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide

C27H25N3O2 — CID 18859211

IUPAC4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide
SMILESCOc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NCCc2ccccc2)cc1)CC3
InChIInChI=1S/C27H25N3O2/c1-32-24-12-9-21-17-22-14-16-30(26(22)29-25(21)18-24)23-10-7-20(8-11-23)27(31)28-15-13-19-5-3-2-4-6-19/h2-12,17-18H,13-16H2,1H3,(H,28,31)
InChIKeyAIVXJBVGGHUDMG-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.91
Rot. Bonds6

About 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide

4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide (PubChem CID 18859211) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide
PubChem CID18859211
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide
SMILESCOc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NCCc2ccccc2)cc1)CC3
InChIInChI=1S/C27H25N3O2/c1-32-24-12-9-21-17-22-14-16-30(26(22)29-25(21)18-24)23-10-7-20(8-11-23)27(31)28-15-13-19-5-3-2-4-6-19/h2-12,17-18H,13-16H2,1H3,(H,28,31)
InChIKeyAIVXJBVGGHUDMG-UHFFFAOYSA-N
XLogP4.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-N-(3-morpholin-4-ylpropyl)benzamide
CID 18859143
methyl 4-[[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]amino]benzoate
CID 18859254
N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859194
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 18859300
N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859231
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)benzamide
CID 18859292
4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide
CID 18859092
N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)furan-2-carboxamide
CID 4906431
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-pyridin-2-ylbenzamide
CID 18859131

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide (CID 18859211) is 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide is COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NCCc2ccccc2)cc1)CC3.
What is the InChIKey of 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide?
The InChIKey is AIVXJBVGGHUDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-32-24-12-9-21-17-22-14-16-30(26(22)29-25(21)18-24)23-10-7-20(8-11-23)27(31)28-15-13-19-5-3-2-4-6-19/h2-12,17-18H,13-16H2,1H3,(H,28,31).
What are the key properties of 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide?
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide has a molecular weight of 423.52 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 18859211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).