1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one

C21H20ClN3O — CID 139421189

IUPAC1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one
SMILESCc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CCC2
InChIInChI=1S/C21H20ClN3O/c1-14-17(22)10-6-11-18(14)23-21-24-20(26)13-16-9-5-12-19(25(16)21)15-7-3-2-4-8-15/h2-4,6-8,10-11,13,19H,5,9,12H2,1H3,(H,23,24,26)
InChIKeyGFJUCJZCCFDEHT-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.87
Rot. Bonds3

About 1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one

1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one (PubChem CID 139421189) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one
PubChem CID139421189
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one
SMILESCc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CCC2
InChIInChI=1S/C21H20ClN3O/c1-14-17(22)10-6-11-18(14)23-21-24-20(26)13-16-9-5-12-19(25(16)21)15-7-3-2-4-8-15/h2-4,6-8,10-11,13,19H,5,9,12H2,1H3,(H,23,24,26)
InChIKeyGFJUCJZCCFDEHT-UHFFFAOYSA-N
XLogP4.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594369
N-(4-chlorophenyl)-4-(N'-cyano-N-o-tolylcarbamimidoyl)-2-phenylpiperazine-1-carboxamide
CID 23649368
6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one
CID 139421296
1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421645
4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]amino]-1H-pyrimidin-6-one
CID 137175143
4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]amino]-1H-pyrimidin-6-one
CID 137175228
2-(3-Chloro-2-methyl-phenylamino)-6-methyl-3H-pyrimidin-4-one
CID 135538485
1-Benzyl-2-(3-chloro-2-methylanilino)-5-fluoropyrimidin-4-one
CID 134290150
1-[(3-Chlorophenyl)methyl]-2-(2-ethylanilino)-5-fluoropyrimidin-4-one
CID 134290232
1-Benzyl-2-(3-chloro-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-one
CID 134290508
2-(3-Chloro-2-methylanilino)-1-[(3,4-difluorophenyl)methyl]-5-fluoropyrimidin-4-one
CID 134290519
5-Chloro-2-(3-chloro-2-methylanilino)-1-[(3,4-difluorophenyl)methyl]pyrimidin-4-one
CID 134290530

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one?
The IUPAC name of 1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one (CID 139421189) is 1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one?
The canonical SMILES for 1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one is Cc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CCC2.
What is the InChIKey of 1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one?
The InChIKey is GFJUCJZCCFDEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14-17(22)10-6-11-18(14)23-21-24-20(26)13-16-9-5-12-19(25(16)21)15-7-3-2-4-8-15/h2-4,6-8,10-11,13,19H,5,9,12H2,1H3,(H,23,24,26).
What are the key properties of 1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one?
1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one has a molecular weight of 365.86 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylanilino)-8-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 139421189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).