N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine

C16H22N4O — CID 80772402

IUPACN-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine
SMILESCCNc1nc(N2CCC(OC)CC2)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-3-17-16-18-14-7-5-4-6-13(14)15(19-16)20-10-8-12(21-2)9-11-20/h4-7,12H,3,8-11H2,1-2H3,(H,17,18,19)
InChIKeyQRFCTPSTCXSMQE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.68
Rot. Bonds4

About N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine

N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine (PubChem CID 80772402) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine
PubChem CID80772402
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine
SMILESCCNc1nc(N2CCC(OC)CC2)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-3-17-16-18-14-7-5-4-6-13(14)15(19-16)20-10-8-12(21-2)9-11-20/h4-7,12H,3,8-11H2,1-2H3,(H,17,18,19)
InChIKeyQRFCTPSTCXSMQE-UHFFFAOYSA-N
XLogP2.68
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine?
The IUPAC name of N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine (CID 80772402) is N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine?
The canonical SMILES for N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine is CCNc1nc(N2CCC(OC)CC2)c2ccccc2n1.
What is the InChIKey of N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine?
The InChIKey is QRFCTPSTCXSMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-17-16-18-14-7-5-4-6-13(14)15(19-16)20-10-8-12(21-2)9-11-20/h4-7,12H,3,8-11H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine?
N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-amine is sourced from PubChem (CID 80772402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).