2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine

C22H17N5O3 — CID 71180927

IUPAC2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3ccc4nc(OC)oc4c3)c2c1
InChIInChI=1S/C22H17N5O3/c1-28-15-6-8-17-16(11-15)21(27-20(25-17)13-4-3-9-23-12-13)24-14-5-7-18-19(10-14)30-22(26-18)29-2/h3-12H,1-2H3,(H,24,25,27)
InChIKeyXTKFEEFIARDMBL-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.59
Rot. Bonds5

About 2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine

2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine (PubChem CID 71180927) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine
PubChem CID71180927
Molecular FormulaC22H17N5O3
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC Name2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3ccc4nc(OC)oc4c3)c2c1
InChIInChI=1S/C22H17N5O3/c1-28-15-6-8-17-16(11-15)21(27-20(25-17)13-4-3-9-23-12-13)24-14-5-7-18-19(10-14)30-22(26-18)29-2/h3-12H,1-2H3,(H,24,25,27)
InChIKeyXTKFEEFIARDMBL-UHFFFAOYSA-N
XLogP4.59
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine with MolForge

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Launch Full Analysis

Related Compounds

7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one
CID 89417197
6-methoxy-2-pyridin-3-yl-N-quinolin-6-ylquinazolin-4-amine
CID 71274406
N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
CID 71273583
6-methoxy-N-[3-(1,3-oxazol-2-yl)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180917
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one
CID 71180918
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 71181163
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
CID 71274409
6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180169
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71180386

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine (CID 71180927) is 2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine is COc1ccc2nc(-c3cccnc3)nc(Nc3ccc4nc(OC)oc4c3)c2c1.
What is the InChIKey of 2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine?
The InChIKey is XTKFEEFIARDMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c1-28-15-6-8-17-16(11-15)21(27-20(25-17)13-4-3-9-23-12-13)24-14-5-7-18-19(10-14)30-22(26-18)29-2/h3-12H,1-2H3,(H,24,25,27).
What are the key properties of 2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine?
2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine has a molecular weight of 399.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 71180927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).