N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine

C22H20N4O — CID 9113170

IUPACN-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(CCOc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H20N4O/c1-26(14-15-27-18-9-3-2-4-10-18)22-19-11-5-6-12-20(19)24-21(25-22)17-8-7-13-23-16-17/h2-13,16H,14-15H2,1H3
InChIKeyBDZGGYJASKDYGV-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.21
Rot. Bonds6

About N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine

N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 9113170) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID9113170
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(CCOc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H20N4O/c1-26(14-15-27-18-9-3-2-4-10-18)22-19-11-5-6-12-20(19)24-21(25-22)17-8-7-13-23-16-17/h2-13,16H,14-15H2,1H3
InChIKeyBDZGGYJASKDYGV-UHFFFAOYSA-N
XLogP4.21
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine (CID 9113170) is N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine is CN(CCOc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is BDZGGYJASKDYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-26(14-15-27-18-9-3-2-4-10-18)22-19-11-5-6-12-20(19)24-21(25-22)17-8-7-13-23-16-17/h2-13,16H,14-15H2,1H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine?
N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 356.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 9113170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).