3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one

C22H23N3O3 — CID 126426727

IUPAC3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one
SMILESO=C(CCCn1cnc2ccccc2c1=O)N1CC[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C22H23N3O3/c26-21(24-14-12-18(15-24)28-17-7-2-1-3-8-17)11-6-13-25-16-23-20-10-5-4-9-19(20)22(25)27/h1-5,7-10,16,18H,6,11-15H2/t18-/m1/s1
InChIKeyMSXJAZKUEPNSIV-GOSISDBHSA-N
MW377.44 g/mol
LogP2.86
Rot. Bonds6

About 3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one

3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one (PubChem CID 126426727) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one
PubChem CID126426727
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one
SMILESO=C(CCCn1cnc2ccccc2c1=O)N1CC[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C22H23N3O3/c26-21(24-14-12-18(15-24)28-17-7-2-1-3-8-17)11-6-13-25-16-23-20-10-5-4-9-19(20)22(25)27/h1-5,7-10,16,18H,6,11-15H2/t18-/m1/s1
InChIKeyMSXJAZKUEPNSIV-GOSISDBHSA-N
XLogP2.86
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one with MolForge

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Related Compounds

3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
3-[3-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90566265
3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one
CID 100644820
3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-one
CID 4904361
3-[2-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119100380
3-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 100756593
3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one
CID 71799340
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
3-[6-(4-benzylpiperazin-4-ium-1-yl)-6-oxohexyl]quinazolin-4-one
CID 7632354
3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one
CID 71704392
3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119100452

Frequently Asked Questions

What is the IUPAC name of 3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one?
The IUPAC name of 3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one (CID 126426727) is 3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one.
What is the SMILES notation for 3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one?
The canonical SMILES for 3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one is O=C(CCCn1cnc2ccccc2c1=O)N1CC[C@@H](Oc2ccccc2)C1.
What is the InChIKey of 3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one?
The InChIKey is MSXJAZKUEPNSIV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(24-14-12-18(15-24)28-17-7-2-1-3-8-17)11-6-13-25-16-23-20-10-5-4-9-19(20)22(25)27/h1-5,7-10,16,18H,6,11-15H2/t18-/m1/s1.
What are the key properties of 3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one?
3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one has a molecular weight of 377.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one is sourced from PubChem (CID 126426727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).