1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one

C26H24N4O2 — CID 157344313

IUPAC1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OCC(=O)CC4CC4)c3)cc12
InChIInChI=1S/C26H24N4O2/c1-27-26-23-14-19(9-10-24(23)29-25(30-26)20-5-3-11-28-15-20)18-4-2-6-22(13-18)32-16-21(31)12-17-7-8-17/h2-6,9-11,13-15,17H,7-8,12,16H2,1H3,(H,27,29,30)
InChIKeyBGTTXIMIDGODGC-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.15
Rot. Bonds8

About 1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one

1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one (PubChem CID 157344313) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one
PubChem CID157344313
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OCC(=O)CC4CC4)c3)cc12
InChIInChI=1S/C26H24N4O2/c1-27-26-23-14-19(9-10-24(23)29-25(30-26)20-5-3-11-28-15-20)18-4-2-6-22(13-18)32-16-21(31)12-17-7-8-17/h2-6,9-11,13-15,17H,7-8,12,16H2,1H3,(H,27,29,30)
InChIKeyBGTTXIMIDGODGC-UHFFFAOYSA-N
XLogP5.15
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one with MolForge

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Related Compounds

N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
CID 71179886
4-cyclohexyl-1-[4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]butan-2-one
CID 144500433
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine
CID 71179868
N-methyl-2-pyridin-3-yl-6-[3-(5,5,5-trifluoropentoxy)phenyl]quinazolin-4-amine
CID 146736740
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
CID 71274798
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71274689
N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71274687

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one?
The IUPAC name of 1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one (CID 157344313) is 1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one?
The canonical SMILES for 1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one is CNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OCC(=O)CC4CC4)c3)cc12.
What is the InChIKey of 1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one?
The InChIKey is BGTTXIMIDGODGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-27-26-23-14-19(9-10-24(23)29-25(30-26)20-5-3-11-28-15-20)18-4-2-6-22(13-18)32-16-21(31)12-17-7-8-17/h2-6,9-11,13-15,17H,7-8,12,16H2,1H3,(H,27,29,30).
What are the key properties of 1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one?
1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one has a molecular weight of 424.50 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one is sourced from PubChem (CID 157344313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).