(3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone

C22H19BrN4O — CID 18729636

IUPAC(3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone
SMILESNC1CCN(C(=O)c2cc(-c3c[nH]c4ccc(Br)cc34)nc3ccccc23)C1
InChIInChI=1S/C22H19BrN4O/c23-13-5-6-19-16(9-13)18(11-25-19)21-10-17(15-3-1-2-4-20(15)26-21)22(28)27-8-7-14(24)12-27/h1-6,9-11,14,25H,7-8,12,24H2
InChIKeyJPZDPGNVPDSCDJ-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.32
Rot. Bonds2

About (3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone

(3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone (PubChem CID 18729636) has the molecular formula C22H19BrN4O and a molecular weight of 435.33 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone
PubChem CID18729636
Molecular FormulaC22H19BrN4O
Molecular Weight435.33 g/mol
Exact Mass434.07
IUPAC Name(3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone
SMILESNC1CCN(C(=O)c2cc(-c3c[nH]c4ccc(Br)cc34)nc3ccccc23)C1
InChIInChI=1S/C22H19BrN4O/c23-13-5-6-19-16(9-13)18(11-25-19)21-10-17(15-3-1-2-4-20(15)26-21)22(28)27-8-7-14(24)12-27/h1-6,9-11,14,25H,7-8,12,24H2
InChIKeyJPZDPGNVPDSCDJ-UHFFFAOYSA-N
XLogP4.32
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 59930142
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729868
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
CID 119934390
N-[[4-[(3-aminopropanoylamino)methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729849
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119413204
N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 54086913
(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119373566
(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide;2-(5-bromo-1H-indol-3-yl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]quinoline-4-carboxamide
CID 161116274

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone (CID 18729636) is (3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone is NC1CCN(C(=O)c2cc(-c3c[nH]c4ccc(Br)cc34)nc3ccccc23)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone?
The InChIKey is JPZDPGNVPDSCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O/c23-13-5-6-19-16(9-13)18(11-25-19)21-10-17(15-3-1-2-4-20(15)26-21)22(28)27-8-7-14(24)12-27/h1-6,9-11,14,25H,7-8,12,24H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone?
(3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone has a molecular weight of 435.33 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 18729636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).