2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine

C18H27N5O — CID 124741589

IUPAC2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine
SMILESCCOCCN1CCN(Cc2nc(N)c3ccccc3n2)C[C@H]1C
InChIInChI=1S/C18H27N5O/c1-3-24-11-10-23-9-8-22(12-14(23)2)13-17-20-16-7-5-4-6-15(16)18(19)21-17/h4-7,14H,3,8-13H2,1-2H3,(H2,19,20,21)/t14-/m1/s1
InChIKeyWSBFNBHHSIAMDM-CQSZACIVSA-N
MW329.45 g/mol
LogP1.75
Rot. Bonds6

About 2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine

2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine (PubChem CID 124741589) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine
PubChem CID124741589
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine
SMILESCCOCCN1CCN(Cc2nc(N)c3ccccc3n2)C[C@H]1C
InChIInChI=1S/C18H27N5O/c1-3-24-11-10-23-9-8-22(12-14(23)2)13-17-20-16-7-5-4-6-15(16)18(19)21-17/h4-7,14H,3,8-13H2,1-2H3,(H2,19,20,21)/t14-/m1/s1
InChIKeyWSBFNBHHSIAMDM-CQSZACIVSA-N
XLogP1.75
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 95333156
(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
(2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124741311
1-(4-benzylpiperazin-1-yl)-2-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 86895019
3-[[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]benzonitrile
CID 95346828
2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 62671549
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
2-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-benzoxazole
CID 95351742
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
2-[[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 30648593
1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol
CID 80702487

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine (CID 124741589) is 2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine is CCOCCN1CCN(Cc2nc(N)c3ccccc3n2)C[C@H]1C.
What is the InChIKey of 2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is WSBFNBHHSIAMDM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-24-11-10-23-9-8-22(12-14(23)2)13-17-20-16-7-5-4-6-15(16)18(19)21-17/h4-7,14H,3,8-13H2,1-2H3,(H2,19,20,21)/t14-/m1/s1.
What are the key properties of 2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine?
2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 124741589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).