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

C16H21N3O — CID 110019975

IUPAC1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCc1nc(CN2CCC(C(C)O)C2)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-11-14-5-3-4-6-15(14)18-16(17-11)10-19-8-7-13(9-19)12(2)20/h3-6,12-13,20H,7-10H2,1-2H3
InChIKeyVWNVGMQOAKBRQX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.14
Rot. Bonds3

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

1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 110019975) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID110019975
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCc1nc(CN2CCC(C(C)O)C2)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-11-14-5-3-4-6-15(14)18-16(17-11)10-19-8-7-13(9-19)12(2)20/h3-6,12-13,20H,7-10H2,1-2H3
InChIKeyVWNVGMQOAKBRQX-UHFFFAOYSA-N
XLogP2.14
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

(2R)-2-hydroxy-2-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]acetamide
CID 129490272
1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 71932952
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115967098
2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline
CID 86928124
1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115966906
1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
CID 110020364
2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111497187
tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate
CID 60512788
(2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 95612257
1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 56802986

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol (CID 110019975) is 1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol is Cc1nc(CN2CCC(C(C)O)C2)nc2ccccc12.
What is the InChIKey of 1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is VWNVGMQOAKBRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-14-5-3-4-6-15(14)18-16(17-11)10-19-8-7-13(9-19)12(2)20/h3-6,12-13,20H,7-10H2,1-2H3.
What are the key properties of 1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol?
1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110019975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).