[1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol

C18H26N4O — CID 50967083

IUPAC[1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(c2nc(CCN)nc3ccccc23)C1
InChIInChI=1S/C18H26N4O/c1-2-18(13-23)9-5-11-22(12-18)17-14-6-3-4-7-15(14)20-16(21-17)8-10-19/h3-4,6-7,23H,2,5,8-13,19H2,1H3
InChIKeyCEJHJJXVAKOOGL-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.12
Rot. Bonds5

About [1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol

[1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol (PubChem CID 50967083) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is [1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol
PubChem CID50967083
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name[1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(c2nc(CCN)nc3ccccc23)C1
InChIInChI=1S/C18H26N4O/c1-2-18(13-23)9-5-11-22(12-18)17-14-6-3-4-7-15(14)20-16(21-17)8-10-19/h3-4,6-7,23H,2,5,8-13,19H2,1H3
InChIKeyCEJHJJXVAKOOGL-UHFFFAOYSA-N
XLogP2.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol?
The IUPAC name of [1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol (CID 50967083) is [1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol is CCC1(CO)CCCN(c2nc(CCN)nc3ccccc23)C1.
What is the InChIKey of [1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol?
The InChIKey is CEJHJJXVAKOOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-2-18(13-23)9-5-11-22(12-18)17-14-6-3-4-7-15(14)20-16(21-17)8-10-19/h3-4,6-7,23H,2,5,8-13,19H2,1H3.
What are the key properties of [1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol?
[1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol has a molecular weight of 314.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol is sourced from PubChem (CID 50967083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).