N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide

C27H25N3O — CID 23937897

IUPACN-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2
InChIInChI=1S/C27H25N3O/c31-25(16-15-20-9-3-1-4-10-20)29-26-22-13-7-8-14-24(22)28-27-23(26)17-18-30(27)19-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,28,29,31)
InChIKeyQEEPLLWXXWOYJV-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.37
Rot. Bonds6

About N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide

N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide (PubChem CID 23937897) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide
PubChem CID23937897
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC NameN-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2
InChIInChI=1S/C27H25N3O/c31-25(16-15-20-9-3-1-4-10-20)29-26-22-13-7-8-14-24(22)28-27-23(26)17-18-30(27)19-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,28,29,31)
InChIKeyQEEPLLWXXWOYJV-UHFFFAOYSA-N
XLogP5.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)adamantane-1-carboxamide
CID 3110684
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide
CID 3114093
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide
CID 3102829
N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide
CID 4229346
2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride
CID 52994942
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanamide
CID 3955935
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 1142495
2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide
CID 45034182
1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;2-chloro-5-nitrobenzoic acid
CID 6611714
N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 22310682
2-(4-benzhydrylpiperazin-1-yl)-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;oxalic acid
CID 2854771
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide?
The IUPAC name of N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide (CID 23937897) is N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2.
What is the InChIKey of N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide?
The InChIKey is QEEPLLWXXWOYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c31-25(16-15-20-9-3-1-4-10-20)29-26-22-13-7-8-14-24(22)28-27-23(26)17-18-30(27)19-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,28,29,31).
What are the key properties of N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide?
N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide has a molecular weight of 407.52 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 23937897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).