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

C21H14F2N4O3 — CID 71180386

IUPACN-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cccc4c3OC(F)(F)O4)c2c1
InChIInChI=1S/C21H14F2N4O3/c1-28-13-7-8-15-14(10-13)20(27-19(25-15)12-4-3-9-24-11-12)26-16-5-2-6-17-18(16)30-21(22,23)29-17/h2-11H,1H3,(H,25,26,27)
InChIKeyCQXPADSHVOSDEN-UHFFFAOYSA-N
MW408.36 g/mol
LogP4.77
Rot. Bonds4

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

N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180386) has the molecular formula C21H14F2N4O3 and a molecular weight of 408.36 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180386
Molecular FormulaC21H14F2N4O3
Molecular Weight408.36 g/mol
Exact Mass408.10
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cccc4c3OC(F)(F)O4)c2c1
InChIInChI=1S/C21H14F2N4O3/c1-28-13-7-8-15-14(10-13)20(27-19(25-15)12-4-3-9-24-11-12)26-16-5-2-6-17-18(16)30-21(22,23)29-17/h2-11H,1H3,(H,25,26,27)
InChIKeyCQXPADSHVOSDEN-UHFFFAOYSA-N
XLogP4.77
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
CID 71274409
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180169
2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine
CID 71180927
6-methoxy-N-[3-(1,3-oxazol-2-yl)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180917
4-(4-fluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
CID 89347866
6-methoxy-2-pyridin-3-yl-N-quinolin-6-ylquinazolin-4-amine
CID 71274406
4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
CID 89348061
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
CID 71273583
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide
CID 144501294
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 89348047

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine (CID 71180386) is N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine is COc1ccc2nc(-c3cccnc3)nc(Nc3cccc4c3OC(F)(F)O4)c2c1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is CQXPADSHVOSDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O3/c1-28-13-7-8-15-14(10-13)20(27-19(25-15)12-4-3-9-24-11-12)26-16-5-2-6-17-18(16)30-21(22,23)29-17/h2-11H,1H3,(H,25,26,27).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 408.36 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).