7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine

C17H24N4O — CID 123925648

IUPAC7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine
SMILESCC(C)N1CCC(OCc2ccc3cnc(N)nc3c2)CC1
InChIInChI=1S/C17H24N4O/c1-12(2)21-7-5-15(6-8-21)22-11-13-3-4-14-10-19-17(18)20-16(14)9-13/h3-4,9-10,12,15H,5-8,11H2,1-2H3,(H2,18,19,20)
InChIKeyLOYYMLOPOUXKMC-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.60
Rot. Bonds4

About 7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine

7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine (PubChem CID 123925648) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine.

Molecular Properties

Compound Name7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine
PubChem CID123925648
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine
SMILESCC(C)N1CCC(OCc2ccc3cnc(N)nc3c2)CC1
InChIInChI=1S/C17H24N4O/c1-12(2)21-7-5-15(6-8-21)22-11-13-3-4-14-10-19-17(18)20-16(14)9-13/h3-4,9-10,12,15H,5-8,11H2,1-2H3,(H2,18,19,20)
InChIKeyLOYYMLOPOUXKMC-UHFFFAOYSA-N
XLogP2.60
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine?
The IUPAC name of 7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine (CID 123925648) is 7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine.
What is the SMILES notation for 7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine?
The canonical SMILES for 7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine is CC(C)N1CCC(OCc2ccc3cnc(N)nc3c2)CC1.
What is the InChIKey of 7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine?
The InChIKey is LOYYMLOPOUXKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)21-7-5-15(6-8-21)22-11-13-3-4-14-10-19-17(18)20-16(14)9-13/h3-4,9-10,12,15H,5-8,11H2,1-2H3,(H2,18,19,20).
What are the key properties of 7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine?
7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine is sourced from PubChem (CID 123925648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).