2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one

C19H25N3O3 — CID 126949581

IUPAC2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
SMILESCn1c(C2CCCN2CC2(O)CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C19H25N3O3/c1-21-17(20-15-6-3-2-5-14(15)18(21)23)16-7-4-10-22(16)13-19(24)8-11-25-12-9-19/h2-3,5-6,16,24H,4,7-13H2,1H3
InChIKeyLLTKXSXWIUAPPX-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.61
Rot. Bonds3

About 2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one

2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one (PubChem CID 126949581) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
PubChem CID126949581
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
SMILESCn1c(C2CCCN2CC2(O)CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C19H25N3O3/c1-21-17(20-15-6-3-2-5-14(15)18(21)23)16-7-4-10-22(16)13-19(24)8-11-25-12-9-19/h2-3,5-6,16,24H,4,7-13H2,1H3
InChIKeyLLTKXSXWIUAPPX-UHFFFAOYSA-N
XLogP1.61
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]ethyl]morpholin-3-one
CID 126949530
3-methyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949452
3-methyl-2-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949519
3-methyl-2-[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949438
3-methyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949462
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949357
3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949440
3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949500
3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949508
3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one
CID 126949306
3-methyl-2-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949480
3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949612

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one (CID 126949581) is 2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one is Cn1c(C2CCCN2CC2(O)CCOCC2)nc2ccccc2c1=O.
What is the InChIKey of 2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one?
The InChIKey is LLTKXSXWIUAPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-21-17(20-15-6-3-2-5-14(15)18(21)23)16-7-4-10-22(16)13-19(24)8-11-25-12-9-19/h2-3,5-6,16,24H,4,7-13H2,1H3.
What are the key properties of 2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one?
2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one has a molecular weight of 343.43 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 126949581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).