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

C23H25ClN4O — CID 45034182

IUPAC2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide
SMILESCC(C)(C)NCC(=O)Nc1c2c(nc3ccccc13)N(c1cccc(Cl)c1)CC2
InChIInChI=1S/C23H25ClN4O/c1-23(2,3)25-14-20(29)27-21-17-9-4-5-10-19(17)26-22-18(21)11-12-28(22)16-8-6-7-15(24)13-16/h4-10,13,25H,11-12,14H2,1-3H3,(H,26,27,29)
InChIKeyHJTGPQMPGZRDEF-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.91
Rot. Bonds4

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

2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide (PubChem CID 45034182) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide
PubChem CID45034182
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide
SMILESCC(C)(C)NCC(=O)Nc1c2c(nc3ccccc13)N(c1cccc(Cl)c1)CC2
InChIInChI=1S/C23H25ClN4O/c1-23(2,3)25-14-20(29)27-21-17-9-4-5-10-19(17)26-22-18(21)11-12-28(22)16-8-6-7-15(24)13-16/h4-10,13,25H,11-12,14H2,1-3H3,(H,26,27,29)
InChIKeyHJTGPQMPGZRDEF-UHFFFAOYSA-N
XLogP4.91
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-phenylacetamide
CID 4229346
N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 22310682
2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide
CID 1099165
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)-3-phenylpropanamide
CID 23937897
2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride
CID 52994942
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
2-(4-benzhydrylpiperazin-1-yl)-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;oxalic acid
CID 2854771
N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)adamantane-1-carboxamide
CID 3110684
2-(tert-butylamino)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 79256943
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide (CID 45034182) is 2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide is CC(C)(C)NCC(=O)Nc1c2c(nc3ccccc13)N(c1cccc(Cl)c1)CC2.
What is the InChIKey of 2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide?
The InChIKey is HJTGPQMPGZRDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-23(2,3)25-14-20(29)27-21-17-9-4-5-10-19(17)26-22-18(21)11-12-28(22)16-8-6-7-15(24)13-16/h4-10,13,25H,11-12,14H2,1-3H3,(H,26,27,29).
What are the key properties of 2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide?
2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide has a molecular weight of 408.93 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[1-(3-chlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide is sourced from PubChem (CID 45034182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).