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

C26H24N6O — CID 71583377

IUPAC4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one
SMILESC[C@@H](NC1=CC(=O)NCC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C26H24N6O/c1-17(30-23-10-13-28-25(33)15-23)18-2-5-22(6-3-18)31-26-29-16-21-14-20(4-7-24(21)32-26)19-8-11-27-12-9-19/h2-9,11-12,14-17,30H,10,13H2,1H3,(H,28,33)(H,29,31,32)/t17-/m1/s1
InChIKeyWXHTZLXDTNQRJE-QGZVFWFLSA-N
MW436.52 g/mol
LogP4.49
Rot. Bonds6

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

4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one (PubChem CID 71583377) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one
PubChem CID71583377
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one
SMILESC[C@@H](NC1=CC(=O)NCC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C26H24N6O/c1-17(30-23-10-13-28-25(33)15-23)18-2-5-22(6-3-18)31-26-29-16-21-14-20(4-7-24(21)32-26)19-8-11-27-12-9-19/h2-9,11-12,14-17,30H,10,13H2,1H3,(H,28,33)(H,29,31,32)/t17-/m1/s1
InChIKeyWXHTZLXDTNQRJE-QGZVFWFLSA-N
XLogP4.49
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one (CID 71583377) is 4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one is C[C@@H](NC1=CC(=O)NCC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of 4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is WXHTZLXDTNQRJE-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H24N6O/c1-17(30-23-10-13-28-25(33)15-23)18-2-5-22(6-3-18)31-26-29-16-21-14-20(4-7-24(21)32-26)19-8-11-27-12-9-19/h2-9,11-12,14-17,30H,10,13H2,1H3,(H,28,33)(H,29,31,32)/t17-/m1/s1.
What are the key properties of 4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one?
4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 436.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]amino]-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 71583377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).