6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine

C22H20N4O — CID 71180728

IUPAC6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccccc1-c1ccc2nc(-c3cccnc3)nc(N(C)C)c2c1
InChIInChI=1S/C22H20N4O/c1-26(2)22-18-13-15(17-8-4-5-9-20(17)27-3)10-11-19(18)24-21(25-22)16-7-6-12-23-14-16/h4-14H,1-3H3
InChIKeyYRVTTXQOBDPHMP-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.43
Rot. Bonds4

About 6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine

6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180728) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180728
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccccc1-c1ccc2nc(-c3cccnc3)nc(N(C)C)c2c1
InChIInChI=1S/C22H20N4O/c1-26(2)22-18-13-15(17-8-4-5-9-20(17)27-3)10-11-19(18)24-21(25-22)16-7-6-12-23-14-16/h4-14H,1-3H3
InChIKeyYRVTTXQOBDPHMP-UHFFFAOYSA-N
XLogP4.43
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine (CID 71180728) is 6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine is COc1ccccc1-c1ccc2nc(-c3cccnc3)nc(N(C)C)c2c1.
What is the InChIKey of 6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is YRVTTXQOBDPHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-26(2)22-18-13-15(17-8-4-5-9-20(17)27-3)10-11-19(18)24-21(25-22)16-7-6-12-23-14-16/h4-14H,1-3H3.
What are the key properties of 6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine?
6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 356.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).