6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one

C13H15N3O2 — CID 141117646

IUPAC6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(OC[C@H]3CCCN3)cc12
InChIInChI=1S/C13H15N3O2/c17-13-11-6-10(3-4-12(11)15-8-16-13)18-7-9-2-1-5-14-9/h3-4,6,8-9,14H,1-2,5,7H2,(H,15,16,17)/t9-/m1/s1
InChIKeyDCHNAOHZEPSXMR-SECBINFHSA-N
MW245.28 g/mol
LogP1.05
Rot. Bonds3

About 6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one

6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one (PubChem CID 141117646) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one
PubChem CID141117646
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(OC[C@H]3CCCN3)cc12
InChIInChI=1S/C13H15N3O2/c17-13-11-6-10(3-4-12(11)15-8-16-13)18-7-9-2-1-5-14-9/h3-4,6,8-9,14H,1-2,5,7H2,(H,15,16,17)/t9-/m1/s1
InChIKeyDCHNAOHZEPSXMR-SECBINFHSA-N
XLogP1.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
6-(pyrrolidin-2-ylmethoxy)-1H-indazole
CID 84682883
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one
CID 99737462
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765
7-(piperidin-2-ylmethoxy)quinoline
CID 107313771
(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine
CID 176600541
2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
CID 63985573

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one?
The IUPAC name of 6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one (CID 141117646) is 6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one.
What is the SMILES notation for 6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one?
The canonical SMILES for 6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one is O=c1[nH]cnc2ccc(OC[C@H]3CCCN3)cc12.
What is the InChIKey of 6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one?
The InChIKey is DCHNAOHZEPSXMR-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13-11-6-10(3-4-12(11)15-8-16-13)18-7-9-2-1-5-14-9/h3-4,6,8-9,14H,1-2,5,7H2,(H,15,16,17)/t9-/m1/s1.
What are the key properties of 6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one?
6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one has a molecular weight of 245.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one is sourced from PubChem (CID 141117646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).