1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one

C22H23N3O3 — CID 134134680

IUPAC1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@H](Oc2ccnc3ccc(-c4ccc(OC)nc4)cc23)C1
InChIInChI=1S/C22H23N3O3/c1-3-22(26)25-11-9-17(14-25)28-20-8-10-23-19-6-4-15(12-18(19)20)16-5-7-21(27-2)24-13-16/h4-8,10,12-13,17H,3,9,11,14H2,1-2H3/t17-/m0/s1
InChIKeyGKVUBNGBTYQPGF-KRWDZBQOSA-N
MW377.44 g/mol
LogP3.70
Rot. Bonds5

About 1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one

1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one (PubChem CID 134134680) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one
PubChem CID134134680
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@H](Oc2ccnc3ccc(-c4ccc(OC)nc4)cc23)C1
InChIInChI=1S/C22H23N3O3/c1-3-22(26)25-11-9-17(14-25)28-20-8-10-23-19-6-4-15(12-18(19)20)16-5-7-21(27-2)24-13-16/h4-8,10,12-13,17H,3,9,11,14H2,1-2H3/t17-/m0/s1
InChIKeyGKVUBNGBTYQPGF-KRWDZBQOSA-N
XLogP3.70
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one (CID 134134680) is 1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one is CCC(=O)N1CC[C@H](Oc2ccnc3ccc(-c4ccc(OC)nc4)cc23)C1.
What is the InChIKey of 1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one?
The InChIKey is GKVUBNGBTYQPGF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-22(26)25-11-9-17(14-25)28-20-8-10-23-19-6-4-15(12-18(19)20)16-5-7-21(27-2)24-13-16/h4-8,10,12-13,17H,3,9,11,14H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one?
1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one has a molecular weight of 377.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[6-(6-methoxy-3-pyridinyl)quinolin-4-yl]oxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 134134680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).