(4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one

C16H16BrN3O — CID 97321254

IUPAC(4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1C[C@H](Nc2ccc3cccc(Br)c3n2)CN1C1CC1
InChIInChI=1S/C16H16BrN3O/c17-13-3-1-2-10-4-7-14(19-16(10)13)18-11-8-15(21)20(9-11)12-5-6-12/h1-4,7,11-12H,5-6,8-9H2,(H,18,19)/t11-/m0/s1
InChIKeyUAWXXCKRKXOSHR-NSHDSACASA-N
MW346.23 g/mol
LogP3.17
Rot. Bonds3

About (4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one

(4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one (PubChem CID 97321254) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is (4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one
PubChem CID97321254
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name(4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1C[C@H](Nc2ccc3cccc(Br)c3n2)CN1C1CC1
InChIInChI=1S/C16H16BrN3O/c17-13-3-1-2-10-4-7-14(19-16(10)13)18-11-8-15(21)20(9-11)12-5-6-12/h1-4,7,11-12H,5-6,8-9H2,(H,18,19)/t11-/m0/s1
InChIKeyUAWXXCKRKXOSHR-NSHDSACASA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one (CID 97321254) is (4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one is O=C1C[C@H](Nc2ccc3cccc(Br)c3n2)CN1C1CC1.
What is the InChIKey of (4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is UAWXXCKRKXOSHR-NSHDSACASA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-13-3-1-2-10-4-7-14(19-16(10)13)18-11-8-15(21)20(9-11)12-5-6-12/h1-4,7,11-12H,5-6,8-9H2,(H,18,19)/t11-/m0/s1.
What are the key properties of (4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one?
(4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 346.23 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 97321254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).