1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol

C18H27N5O — CID 56802986

IUPAC1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCCC1CN(Cc2nc(N)c3ccccc3n2)CCN1CC(C)O
InChIInChI=1S/C18H27N5O/c1-3-14-11-22(8-9-23(14)10-13(2)24)12-17-20-16-7-5-4-6-15(16)18(19)21-17/h4-7,13-14,24H,3,8-12H2,1-2H3,(H2,19,20,21)
InChIKeyZOFNATCENBYGEA-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.49
Rot. Bonds5

About 1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol

1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol (PubChem CID 56802986) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
PubChem CID56802986
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCCC1CN(Cc2nc(N)c3ccccc3n2)CCN1CC(C)O
InChIInChI=1S/C18H27N5O/c1-3-14-11-22(8-9-23(14)10-13(2)24)12-17-20-16-7-5-4-6-15(16)18(19)21-17/h4-7,13-14,24H,3,8-12H2,1-2H3,(H2,19,20,21)
InChIKeyZOFNATCENBYGEA-UHFFFAOYSA-N
XLogP1.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol (CID 56802986) is 1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol is CCC1CN(Cc2nc(N)c3ccccc3n2)CCN1CC(C)O.
What is the InChIKey of 1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
The InChIKey is ZOFNATCENBYGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-14-11-22(8-9-23(14)10-13(2)24)12-17-20-16-7-5-4-6-15(16)18(19)21-17/h4-7,13-14,24H,3,8-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol has a molecular weight of 329.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 56802986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).