6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one

C20H18ClN3O2 — CID 139421296

IUPAC6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one
SMILESCc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)COC2
InChIInChI=1S/C20H18ClN3O2/c1-13-16(21)8-5-9-17(13)22-20-23-19(25)10-15-11-26-12-18(24(15)20)14-6-3-2-4-7-14/h2-10,18H,11-12H2,1H3,(H,22,23,25)
InChIKeyHYIRWUCJDUMCKN-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.07
Rot. Bonds3

About 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one

6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one (PubChem CID 139421296) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one.

Molecular Properties

Compound Name6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one
PubChem CID139421296
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one
SMILESCc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)COC2
InChIInChI=1S/C20H18ClN3O2/c1-13-16(21)8-5-9-17(13)22-20-23-19(25)10-15-11-26-12-18(24(15)20)14-6-3-2-4-7-14/h2-10,18H,11-12H2,1H3,(H,22,23,25)
InChIKeyHYIRWUCJDUMCKN-UHFFFAOYSA-N
XLogP4.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-Chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one
CID 139421463
1-Benzyl-2-(3-chloro-2-methylanilino)-5-phenylmethoxypyrimidin-4-one
CID 134290265
1-Benzyl-2-(3-chloro-2-methylanilino)-5-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 134291350
1-(3-Chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one
CID 139421189
6-(3-chloro-2-methylanilino)-9-methoxy-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one
CID 139421480
6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one
CID 139421486
N-(3-Chloro-2-methylphenyl)-2-[4-(methoxymethyl)-2-(morpholin-4-YL)-6-oxo-1,6-dihydropyrimidin-1-YL]acetamide
CID 91903931
2-[2-(2-Chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1-[2-(methoxymethyl)phenyl]guanidine
CID 112272899
2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine
CID 69091378
2-(3-chloro-2-methylanilino)-4-[(2-hydroxy-2-phenylethoxy)methyl]-1H-pyrimidin-6-one
CID 139421290
2-(3-chloro-2-methylanilino)-4-[(2-iodo-2-phenylethoxy)methyl]-1H-pyrimidin-6-one
CID 139421292
2-(3-chloro-2-methylanilino)-4-[[2-(2-methylpropoxy)-2-phenylethoxy]methyl]-1H-pyrimidin-6-one
CID 139421293

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one?
The IUPAC name of 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one (CID 139421296) is 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one.
What is the SMILES notation for 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one?
The canonical SMILES for 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one is Cc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)COC2.
What is the InChIKey of 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one?
The InChIKey is HYIRWUCJDUMCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-16(21)8-5-9-17(13)22-20-23-19(25)10-15-11-26-12-18(24(15)20)14-6-3-2-4-7-14/h2-10,18H,11-12H2,1H3,(H,22,23,25).
What are the key properties of 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one?
6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one has a molecular weight of 367.84 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one is sourced from PubChem (CID 139421296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).