3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one

C24H23N5O2 — CID 24879367

IUPAC3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one
SMILESCc1ccn(-c2ccc(N3CCOCC3)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C24H23N5O2/c1-16-8-9-29(20-5-3-19(4-6-20)28-10-12-31-13-11-28)23(30)22(16)17-2-7-21-18(14-17)15-26-24(25)27-21/h2-9,14-15H,10-13H2,1H3,(H2,25,26,27)
InChIKeyBTNNMUUCTVIEEE-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.17
Rot. Bonds3

About 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one

3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one (PubChem CID 24879367) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one
PubChem CID24879367
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one
SMILESCc1ccn(-c2ccc(N3CCOCC3)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C24H23N5O2/c1-16-8-9-29(20-5-3-19(4-6-20)28-10-12-31-13-11-28)23(30)22(16)17-2-7-21-18(14-17)15-26-24(25)27-21/h2-9,14-15H,10-13H2,1H3,(H2,25,26,27)
InChIKeyBTNNMUUCTVIEEE-UHFFFAOYSA-N
XLogP3.17
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Momelotinib
CID 25062766
Jnk-IN-8
CID 57340686
N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
CID 24963046
Sgi-1027
CID 24858111
Aminoquinazoline amide, 35
CID 25138148
3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one
CID 24812717
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 24812719
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
N-(2-Methoxyethyl)-4-[(6-Pyridin-4-Ylquinazolin-2-Yl)amino]benzamide
CID 24891645
5-(2-Aminoquinazolin-6-Yl)-N-(4,4-Dimethyl-2-Oxo-1,2,3,4-Tetrahydroquinolin-7-Yl)-2-Fluorobenzamide
CID 58829329
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
3-(4-Morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one
CID 133107911

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one (CID 24879367) is 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one is Cc1ccn(-c2ccc(N3CCOCC3)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one?
The InChIKey is BTNNMUUCTVIEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-8-9-29(20-5-3-19(4-6-20)28-10-12-31-13-11-28)23(30)22(16)17-2-7-21-18(14-17)15-26-24(25)27-21/h2-9,14-15H,10-13H2,1H3,(H2,25,26,27).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one?
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one has a molecular weight of 413.48 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholin-4-ylphenyl)pyridin-2-one is sourced from PubChem (CID 24879367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).