4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one

C19H24N4O3 — CID 137209624

IUPAC4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
SMILESO=C1CCOCCN1CCN1CCCC1c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H24N4O3/c24-17-7-12-26-13-11-23(17)10-9-22-8-3-6-16(22)18-20-15-5-2-1-4-14(15)19(25)21-18/h1-2,4-5,16H,3,6-13H2,(H,20,21,25)
InChIKeyBQYUIWAUPVPWQO-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.31
Rot. Bonds4

About 4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one

4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one (PubChem CID 137209624) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
PubChem CID137209624
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
SMILESO=C1CCOCCN1CCN1CCCC1c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H24N4O3/c24-17-7-12-26-13-11-23(17)10-9-22-8-3-6-16(22)18-20-15-5-2-1-4-14(15)19(25)21-18/h1-2,4-5,16H,3,6-13H2,(H,20,21,25)
InChIKeyBQYUIWAUPVPWQO-UHFFFAOYSA-N
XLogP1.31
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one with MolForge

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Related Compounds

4-[2-[2-[3-(2,2-difluoroethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
CID 126950329
2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209566
4-[2-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]ethyl]morpholin-3-one
CID 126949530
2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209529
2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209538
2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209522
2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209523
2-[1-[(2-methoxypyrimidin-4-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209551
4-[2-[2-[4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-2-yl]pyrrolidin-1-yl]ethyl]morpholin-3-one
CID 126950630
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209357
2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209425
2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209487

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one?
The IUPAC name of 4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one (CID 137209624) is 4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one.
What is the SMILES notation for 4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one?
The canonical SMILES for 4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one is O=C1CCOCCN1CCN1CCCC1c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one?
The InChIKey is BQYUIWAUPVPWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-17-7-12-26-13-11-23(17)10-9-22-8-3-6-16(22)18-20-15-5-2-1-4-14(15)19(25)21-18/h1-2,4-5,16H,3,6-13H2,(H,20,21,25).
What are the key properties of 4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one?
4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one has a molecular weight of 356.43 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one is sourced from PubChem (CID 137209624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).