N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine

C18H20N4O — CID 21002797

IUPACN-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
SMILESCCN(CCc1ccncc1)c1ncnc2ccc(OC)cc12
InChIInChI=1S/C18H20N4O/c1-3-22(11-8-14-6-9-19-10-7-14)18-16-12-15(23-2)4-5-17(16)20-13-21-18/h4-7,9-10,12-13H,3,8,11H2,1-2H3
InChIKeyPUXXVWSMDKRROP-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.10
Rot. Bonds6

About N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine

N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine (PubChem CID 21002797) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
PubChem CID21002797
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
SMILESCCN(CCc1ccncc1)c1ncnc2ccc(OC)cc12
InChIInChI=1S/C18H20N4O/c1-3-22(11-8-14-6-9-19-10-7-14)18-16-12-15(23-2)4-5-17(16)20-13-21-18/h4-7,9-10,12-13H,3,8,11H2,1-2H3
InChIKeyPUXXVWSMDKRROP-UHFFFAOYSA-N
XLogP3.10
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine?
The IUPAC name of N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine (CID 21002797) is N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine.
What is the SMILES notation for N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine?
The canonical SMILES for N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine is CCN(CCc1ccncc1)c1ncnc2ccc(OC)cc12.
What is the InChIKey of N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine?
The InChIKey is PUXXVWSMDKRROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-22(11-8-14-6-9-19-10-7-14)18-16-12-15(23-2)4-5-17(16)20-13-21-18/h4-7,9-10,12-13H,3,8,11H2,1-2H3.
What are the key properties of N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine?
N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 21002797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).