3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one

C22H23N3O3 — CID 42893868

IUPAC3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCOc1ccc(C2CCCN2C(=O)CCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-28-17-10-8-16(9-11-17)20-7-4-13-25(20)21(26)12-14-24-15-23-19-6-3-2-5-18(19)22(24)27/h2-3,5-6,8-11,15,20H,4,7,12-14H2,1H3
InChIKeyLZRCEPBNMCNRSU-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.16
Rot. Bonds5

About 3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one

3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one (PubChem CID 42893868) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
PubChem CID42893868
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCOc1ccc(C2CCCN2C(=O)CCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-28-17-10-8-16(9-11-17)20-7-4-13-25(20)21(26)12-14-24-15-23-19-6-3-2-5-18(19)22(24)27/h2-3,5-6,8-11,15,20H,4,7,12-14H2,1H3
InChIKeyLZRCEPBNMCNRSU-UHFFFAOYSA-N
XLogP3.16
TPSA64.43 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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060
3-[4-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-4-oxobutyl]quinazolin-4-one
CID 47078514
3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
3-[3-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124698567
3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124692808
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 51075790
3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 94599769
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 96523727
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 51254000
3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one
CID 97150651

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one (CID 42893868) is 3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one is COc1ccc(C2CCCN2C(=O)CCn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The InChIKey is LZRCEPBNMCNRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-17-10-8-16(9-11-17)20-7-4-13-25(20)21(26)12-14-24-15-23-19-6-3-2-5-18(19)22(24)27/h2-3,5-6,8-11,15,20H,4,7,12-14H2,1H3.
What are the key properties of 3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one?
3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one has a molecular weight of 377.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 42893868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).