[3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol

C20H22N4O2 — CID 166235551

IUPAC[3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol
SMILESCOCC1(CO)CCN(c2nc(-c3cccnc3)nc3ccccc23)C1
InChIInChI=1S/C20H22N4O2/c1-26-14-20(13-25)8-10-24(12-20)19-16-6-2-3-7-17(16)22-18(23-19)15-5-4-9-21-11-15/h2-7,9,11,25H,8,10,12-14H2,1H3
InChIKeyVKLRLHVDNWTDHU-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.53
Rot. Bonds5

About [3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol

[3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 166235551) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol
PubChem CID166235551
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol
SMILESCOCC1(CO)CCN(c2nc(-c3cccnc3)nc3ccccc23)C1
InChIInChI=1S/C20H22N4O2/c1-26-14-20(13-25)8-10-24(12-20)19-16-6-2-3-7-17(16)22-18(23-19)15-5-4-9-21-11-15/h2-7,9,11,25H,8,10,12-14H2,1H3
InChIKeyVKLRLHVDNWTDHU-UHFFFAOYSA-N
XLogP2.53
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid
CID 167777227
(2R)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 95762506
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
[5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 166238124
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-pyridin-3-ylquinazoline
CID 133322897
2-pyridin-3-yl-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]quinazoline
CID 9338628
4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 71296020
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline
CID 133327764
(1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol
CID 133395870

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol (CID 166235551) is [3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol is COCC1(CO)CCN(c2nc(-c3cccnc3)nc3ccccc23)C1.
What is the InChIKey of [3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is VKLRLHVDNWTDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-14-20(13-25)8-10-24(12-20)19-16-6-2-3-7-17(16)22-18(23-19)15-5-4-9-21-11-15/h2-7,9,11,25H,8,10,12-14H2,1H3.
What are the key properties of [3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol?
[3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 350.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 166235551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).