1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol

C19H28N4O — CID 71932952

IUPAC1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCCC1CN(Cc2nc(C)c3ccccc3n2)CCN1CC(C)O
InChIInChI=1S/C19H28N4O/c1-4-16-12-22(9-10-23(16)11-14(2)24)13-19-20-15(3)17-7-5-6-8-18(17)21-19/h5-8,14,16,24H,4,9-13H2,1-3H3
InChIKeyRCMLGELPKAFYNF-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.22
Rot. Bonds5

About 1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol

1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 71932952) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID71932952
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCCC1CN(Cc2nc(C)c3ccccc3n2)CCN1CC(C)O
InChIInChI=1S/C19H28N4O/c1-4-16-12-22(9-10-23(16)11-14(2)24)13-19-20-15(3)17-7-5-6-8-18(17)21-19/h5-8,14,16,24H,4,9-13H2,1-3H3
InChIKeyRCMLGELPKAFYNF-UHFFFAOYSA-N
XLogP2.22
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110019975
(2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol
CID 95766493
(2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98767261
3-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]benzoic acid
CID 122029016
2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 95333156
(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95766588
1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 154747941
2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline
CID 86928124
(2R)-2-hydroxy-2-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]acetamide
CID 129490272
2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 71878633

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol (CID 71932952) is 1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol is CCC1CN(Cc2nc(C)c3ccccc3n2)CCN1CC(C)O.
What is the InChIKey of 1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is RCMLGELPKAFYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-16-12-22(9-10-23(16)11-14(2)24)13-19-20-15(3)17-7-5-6-8-18(17)21-19/h5-8,14,16,24H,4,9-13H2,1-3H3.
What are the key properties of 1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol?
1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 328.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 71932952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).