N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine

C25H24N4O2 — CID 71274689

IUPACN-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OC4CCCOC4)c3)cc12
InChIInChI=1S/C25H24N4O2/c1-26-25-22-14-18(9-10-23(22)28-24(29-25)19-6-3-11-27-15-19)17-5-2-7-20(13-17)31-21-8-4-12-30-16-21/h2-3,5-7,9-11,13-15,21H,4,8,12,16H2,1H3,(H,26,28,29)
InChIKeyOCFAPEDHGJXLLX-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.96
Rot. Bonds5

About N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine

N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71274689) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71274689
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OC4CCCOC4)c3)cc12
InChIInChI=1S/C25H24N4O2/c1-26-25-22-14-18(9-10-23(22)28-24(29-25)19-6-3-11-27-15-19)17-5-2-7-20(13-17)31-21-8-4-12-30-16-21/h2-3,5-7,9-11,13-15,21H,4,8,12,16H2,1H3,(H,26,28,29)
InChIKeyOCFAPEDHGJXLLX-UHFFFAOYSA-N
XLogP4.96
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Related Compounds

6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
CID 71179886
1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one
CID 157344313
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine
CID 71179868
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519
N-methyl-2-pyridin-3-yl-6-[3-(5,5,5-trifluoropentoxy)phenyl]quinazolin-4-amine
CID 146736740
4-cyclohexyl-1-[4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]butan-2-one
CID 144500433

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine (CID 71274689) is N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OC4CCCOC4)c3)cc12.
What is the InChIKey of N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is OCFAPEDHGJXLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-26-25-22-14-18(9-10-23(22)28-24(29-25)19-6-3-11-27-15-19)17-5-2-7-20(13-17)31-21-8-4-12-30-16-21/h2-3,5-7,9-11,13-15,21H,4,8,12,16H2,1H3,(H,26,28,29).
What are the key properties of N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine?
N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 412.49 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71274689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).