2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol

C22H25N3O — CID 111497187

IUPAC2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESCc1nc(CN2CCCC2CC(O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H25N3O/c1-16-19-11-5-6-12-20(19)24-22(23-16)15-25-13-7-10-18(25)14-21(26)17-8-3-2-4-9-17/h2-6,8-9,11-12,18,21,26H,7,10,13-15H2,1H3
InChIKeySWWXEYBTFMQMIF-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.03
Rot. Bonds5

About 2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol

2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol (PubChem CID 111497187) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
PubChem CID111497187
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESCc1nc(CN2CCCC2CC(O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H25N3O/c1-16-19-11-5-6-12-20(19)24-22(23-16)15-25-13-7-10-18(25)14-21(26)17-8-3-2-4-9-17/h2-6,8-9,11-12,18,21,26H,7,10,13-15H2,1H3
InChIKeySWWXEYBTFMQMIF-UHFFFAOYSA-N
XLogP4.03
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline
CID 56780557
(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 100859490
2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 71869510
4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline
CID 95630596
2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111490204
1-phenyl-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]ethanol
CID 111490240
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 111490219
1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110019975
2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol
CID 111490186
2-[4-[(4-methylquinazolin-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985818
5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 125136210
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol?
The IUPAC name of 2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol (CID 111497187) is 2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol.
What is the SMILES notation for 2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol?
The canonical SMILES for 2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol is Cc1nc(CN2CCCC2CC(O)c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol?
The InChIKey is SWWXEYBTFMQMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-19-11-5-6-12-20(19)24-22(23-16)15-25-13-7-10-18(25)14-21(26)17-8-3-2-4-9-17/h2-6,8-9,11-12,18,21,26H,7,10,13-15H2,1H3.
What are the key properties of 2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol?
2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol has a molecular weight of 347.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol is sourced from PubChem (CID 111497187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).