2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine

C19H28N4O — CID 95130438

IUPAC2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine
SMILESCOCCC[C@H]1CCCCN1c1nc(CCN)nc2ccccc12
InChIInChI=1S/C19H28N4O/c1-24-14-6-8-15-7-4-5-13-23(15)19-16-9-2-3-10-17(16)21-18(22-19)11-12-20/h2-3,9-10,15H,4-8,11-14,20H2,1H3/t15-/m1/s1
InChIKeyGDGLOSMYPKQRHC-OAHLLOKOSA-N
MW328.46 g/mol
LogP2.92
Rot. Bonds7

About 2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine

2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine (PubChem CID 95130438) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine
PubChem CID95130438
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine
SMILESCOCCC[C@H]1CCCCN1c1nc(CCN)nc2ccccc12
InChIInChI=1S/C19H28N4O/c1-24-14-6-8-15-7-4-5-13-23(15)19-16-9-2-3-10-17(16)21-18(22-19)11-12-20/h2-3,9-10,15H,4-8,11-14,20H2,1H3/t15-/m1/s1
InChIKeyGDGLOSMYPKQRHC-OAHLLOKOSA-N
XLogP2.92
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine?
The IUPAC name of 2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine (CID 95130438) is 2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine?
The canonical SMILES for 2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine is COCCC[C@H]1CCCCN1c1nc(CCN)nc2ccccc12.
What is the InChIKey of 2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine?
The InChIKey is GDGLOSMYPKQRHC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4O/c1-24-14-6-8-15-7-4-5-13-23(15)19-16-9-2-3-10-17(16)21-18(22-19)11-12-20/h2-3,9-10,15H,4-8,11-14,20H2,1H3/t15-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine?
2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine has a molecular weight of 328.46 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine is sourced from PubChem (CID 95130438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).