N-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

C22H20N4O — CID 4883148

IUPACN-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccccc1C(C)Nc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H20N4O/c1-15(17-9-4-6-12-20(17)27-2)24-22-18-10-3-5-11-19(18)25-21(26-22)16-8-7-13-23-14-16/h3-15H,1-2H3,(H,24,25,26)
InChIKeyJOWBNAKWTXECKY-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.87
Rot. Bonds5

About N-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

N-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 4883148) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID4883148
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccccc1C(C)Nc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H20N4O/c1-15(17-9-4-6-12-20(17)27-2)24-22-18-10-3-5-11-19(18)25-21(26-22)16-8-7-13-23-14-16/h3-15H,1-2H3,(H,24,25,26)
InChIKeyJOWBNAKWTXECKY-UHFFFAOYSA-N
XLogP4.87
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (CID 4883148) is N-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is COc1ccccc1C(C)Nc1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is JOWBNAKWTXECKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-15(17-9-4-6-12-20(17)27-2)24-22-18-10-3-5-11-19(18)25-21(26-22)16-8-7-13-23-14-16/h3-15H,1-2H3,(H,24,25,26).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 356.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 4883148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).