5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine

C16H18BrN3 — CID 106538206

IUPAC5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine
SMILESBrc1cccc2c(NC3CCN(C4CC4)C3)nccc12
InChIInChI=1S/C16H18BrN3/c17-15-3-1-2-14-13(15)6-8-18-16(14)19-11-7-9-20(10-11)12-4-5-12/h1-3,6,8,11-12H,4-5,7,9-10H2,(H,18,19)
InChIKeyRVJDRDLUUZBPHI-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.65
Rot. Bonds3

About 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine

5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine (PubChem CID 106538206) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine
PubChem CID106538206
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine
SMILESBrc1cccc2c(NC3CCN(C4CC4)C3)nccc12
InChIInChI=1S/C16H18BrN3/c17-15-3-1-2-14-13(15)6-8-18-16(14)19-11-7-9-20(10-11)12-4-5-12/h1-3,6,8,11-12H,4-5,7,9-10H2,(H,18,19)
InChIKeyRVJDRDLUUZBPHI-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1,1-dioxothian-4-yl)isoquinolin-1-amine
CID 106537654
N'-(5-bromoisoquinolin-1-yl)-N-cyclopropylethane-1,2-diamine
CID 106540509
1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
CID 62983179
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382170
1-N-(5-bromoisoquinolin-1-yl)-2,2-dimethylcyclobutane-1,3-diamine
CID 106543608
5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine
CID 106538925
3-[(5-bromoisoquinolin-1-yl)amino]piperidine-2,6-dione
CID 106538978
6-bromo-N-(1-cyclopropylpyrrolidin-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 79947242
5-bromo-N-[4-[(3R)-3-fluoropyrrolidin-1-yl]cyclohexyl]quinazolin-2-amine
CID 169156201
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine
CID 107788003
N-(5-bromoisoquinolin-1-yl)-1-cyclohexylethane-1,2-diamine
CID 106540984

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine?
The IUPAC name of 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine (CID 106538206) is 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine?
The canonical SMILES for 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine is Brc1cccc2c(NC3CCN(C4CC4)C3)nccc12.
What is the InChIKey of 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine?
The InChIKey is RVJDRDLUUZBPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c17-15-3-1-2-14-13(15)6-8-18-16(14)19-11-7-9-20(10-11)12-4-5-12/h1-3,6,8,11-12H,4-5,7,9-10H2,(H,18,19).
What are the key properties of 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine?
5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine has a molecular weight of 332.25 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)isoquinolin-1-amine is sourced from PubChem (CID 106538206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).