N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide

C25H20ClN3O — CID 4229346

IUPACN-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1c2c(nc3ccccc13)N(c1cccc(Cl)c1)CC2
InChIInChI=1S/C25H20ClN3O/c26-18-9-6-10-19(16-18)29-14-13-21-24(20-11-4-5-12-22(20)27-25(21)29)28-23(30)15-17-7-2-1-3-8-17/h1-12,16H,13-15H2,(H,27,28,30)
InChIKeyHUBPGWDEOUHNKH-UHFFFAOYSA-N
MW413.91 g/mol
LogP5.76
Rot. Bonds4

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

N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide (PubChem CID 4229346) has the molecular formula C25H20ClN3O and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide
PubChem CID4229346
Molecular FormulaC25H20ClN3O
Molecular Weight413.91 g/mol
Exact Mass413.13
IUPAC NameN-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1c2c(nc3ccccc13)N(c1cccc(Cl)c1)CC2
InChIInChI=1S/C25H20ClN3O/c26-18-9-6-10-19(16-18)29-14-13-21-24(20-11-4-5-12-22(20)27-25(21)29)28-23(30)15-17-7-2-1-3-8-17/h1-12,16H,13-15H2,(H,27,28,30)
InChIKeyHUBPGWDEOUHNKH-UHFFFAOYSA-N
XLogP5.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide
CID 45034182
N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 22310682
N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide
CID 23937897
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 1142495
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)heptanamide
CID 3102829
2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride
CID 52994942
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 7294904
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 56582364
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide (CID 4229346) is N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1c2c(nc3ccccc13)N(c1cccc(Cl)c1)CC2.
What is the InChIKey of N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide?
The InChIKey is HUBPGWDEOUHNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O/c26-18-9-6-10-19(16-18)29-14-13-21-24(20-11-4-5-12-22(20)27-25(21)29)28-23(30)15-17-7-2-1-3-8-17/h1-12,16H,13-15H2,(H,27,28,30).
What are the key properties of N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide?
N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide has a molecular weight of 413.91 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 4229346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).