1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine

C21H26N4O — CID 121255731

IUPAC1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine
SMILESCCc1nc(C(N)CC(C)C)nc2cc(OC)c(-c3ccncc3)cc12
InChIInChI=1S/C21H26N4O/c1-5-18-16-11-15(14-6-8-23-9-7-14)20(26-4)12-19(16)25-21(24-18)17(22)10-13(2)3/h6-9,11-13,17H,5,10,22H2,1-4H3
InChIKeyUVWUZXXWQOOBIN-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.31
Rot. Bonds6

About 1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine

1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine (PubChem CID 121255731) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine
PubChem CID121255731
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine
SMILESCCc1nc(C(N)CC(C)C)nc2cc(OC)c(-c3ccncc3)cc12
InChIInChI=1S/C21H26N4O/c1-5-18-16-11-15(14-6-8-23-9-7-14)20(26-4)12-19(16)25-21(24-18)17(22)10-13(2)3/h6-9,11-13,17H,5,10,22H2,1-4H3
InChIKeyUVWUZXXWQOOBIN-UHFFFAOYSA-N
XLogP4.31
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine (CID 121255731) is 1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine is CCc1nc(C(N)CC(C)C)nc2cc(OC)c(-c3ccncc3)cc12.
What is the InChIKey of 1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine?
The InChIKey is UVWUZXXWQOOBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-5-18-16-11-15(14-6-8-23-9-7-14)20(26-4)12-19(16)25-21(24-18)17(22)10-13(2)3/h6-9,11-13,17H,5,10,22H2,1-4H3.
What are the key properties of 1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine?
1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine has a molecular weight of 350.47 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-7-methoxy-6-pyridin-4-ylquinazolin-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 121255731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).