[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone

C19H22BrN3O — CID 124611882

IUPAC[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone
SMILESCc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N1CC[C@H](CN)C1
InChIInChI=1S/C19H22BrN3O/c1-11-17(19(24)23-7-6-12(9-21)10-23)15-8-14(20)4-5-16(15)22-18(11)13-2-3-13/h4-5,8,12-13H,2-3,6-7,9-10,21H2,1H3/t12-/m1/s1
InChIKeyKFXBVEHADNWOMD-GFCCVEGCSA-N
MW388.31 g/mol
LogP3.60
Rot. Bonds3

About [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone

[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone (PubChem CID 124611882) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone
PubChem CID124611882
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone
SMILESCc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N1CC[C@H](CN)C1
InChIInChI=1S/C19H22BrN3O/c1-11-17(19(24)23-7-6-12(9-21)10-23)15-8-14(20)4-5-16(15)22-18(11)13-2-3-13/h4-5,8,12-13H,2-3,6-7,9-10,21H2,1H3/t12-/m1/s1
InChIKeyKFXBVEHADNWOMD-GFCCVEGCSA-N
XLogP3.60
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone?
The IUPAC name of [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone (CID 124611882) is [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone?
The canonical SMILES for [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone is Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N1CC[C@H](CN)C1.
What is the InChIKey of [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone?
The InChIKey is KFXBVEHADNWOMD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-11-17(19(24)23-7-6-12(9-21)10-23)15-8-14(20)4-5-16(15)22-18(11)13-2-3-13/h4-5,8,12-13H,2-3,6-7,9-10,21H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone?
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone has a molecular weight of 388.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(6-bromo-2-cyclopropyl-3-methylquinolin-4-yl)methanone is sourced from PubChem (CID 124611882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).