6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline

C18H18N4O2 — CID 141419886

IUPAC6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline
SMILESCOc1ccc(-c2ccc3ncnc(O[C@H]4CCNC4)c3c2)cn1
InChIInChI=1S/C18H18N4O2/c1-23-17-5-3-13(9-20-17)12-2-4-16-15(8-12)18(22-11-21-16)24-14-6-7-19-10-14/h2-5,8-9,11,14,19H,6-7,10H2,1H3/t14-/m0/s1
InChIKeyXSRAALSSFJSHMZ-AWEZNQCLSA-N
MW322.37 g/mol
LogP2.44
Rot. Bonds4

About 6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline

6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline (PubChem CID 141419886) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline
PubChem CID141419886
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline
SMILESCOc1ccc(-c2ccc3ncnc(O[C@H]4CCNC4)c3c2)cn1
InChIInChI=1S/C18H18N4O2/c1-23-17-5-3-13(9-20-17)12-2-4-16-15(8-12)18(22-11-21-16)24-14-6-7-19-10-14/h2-5,8-9,11,14,19H,6-7,10H2,1H3/t14-/m0/s1
InChIKeyXSRAALSSFJSHMZ-AWEZNQCLSA-N
XLogP2.44
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline
CID 66751905
6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline
CID 175875955
4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline
CID 175876083
6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine
CID 62348094
4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine
CID 88897202
5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586320
1-[(3S)-3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]oxypyrrolidin-1-yl]ethanone
CID 134154582
5-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 71303659
1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
CID 62348088
6-methoxy-7-pyrrolidin-3-yloxyquinazoline
CID 150692790
1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
CID 141280007
6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole
CID 155211431

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline (CID 141419886) is 6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline is COc1ccc(-c2ccc3ncnc(O[C@H]4CCNC4)c3c2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline?
The InChIKey is XSRAALSSFJSHMZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-23-17-5-3-13(9-20-17)12-2-4-16-15(8-12)18(22-11-21-16)24-14-6-7-19-10-14/h2-5,8-9,11,14,19H,6-7,10H2,1H3/t14-/m0/s1.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline?
6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline has a molecular weight of 322.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline is sourced from PubChem (CID 141419886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).