5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one

C26H24N6O — CID 71583378

IUPAC5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one
SMILESC[C@@H](NC1=CC(=O)CNC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C26H24N6O/c1-17(30-23-13-24(33)16-28-15-23)18-2-5-22(6-3-18)31-26-29-14-21-12-20(4-7-25(21)32-26)19-8-10-27-11-9-19/h2-14,17,28,30H,15-16H2,1H3,(H,29,31,32)/t17-/m1/s1
InChIKeyMMOHLOVDPKIQDH-QGZVFWFLSA-N
MW436.52 g/mol
LogP4.14
Rot. Bonds6

About 5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one

5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one (PubChem CID 71583378) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one.

Molecular Properties

Compound Name5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one
PubChem CID71583378
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one
SMILESC[C@@H](NC1=CC(=O)CNC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C26H24N6O/c1-17(30-23-13-24(33)16-28-15-23)18-2-5-22(6-3-18)31-26-29-14-21-12-20(4-7-25(21)32-26)19-8-10-27-11-9-19/h2-14,17,28,30H,15-16H2,1H3,(H,29,31,32)/t17-/m1/s1
InChIKeyMMOHLOVDPKIQDH-QGZVFWFLSA-N
XLogP4.14
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one?
The IUPAC name of 5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one (CID 71583378) is 5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one.
What is the SMILES notation for 5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one?
The canonical SMILES for 5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one is C[C@@H](NC1=CC(=O)CNC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of 5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one?
The InChIKey is MMOHLOVDPKIQDH-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H24N6O/c1-17(30-23-13-24(33)16-28-15-23)18-2-5-22(6-3-18)31-26-29-14-21-12-20(4-7-25(21)32-26)19-8-10-27-11-9-19/h2-14,17,28,30H,15-16H2,1H3,(H,29,31,32)/t17-/m1/s1.
What are the key properties of 5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one?
5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one has a molecular weight of 436.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,6-dihydro-1H-pyridin-3-one is sourced from PubChem (CID 71583378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).