(2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

C20H15Cl2N3O — CID 86281421

IUPAC(2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2ccccc2)C1
InChIInChI=1S/C20H15Cl2N3O/c21-16-8-4-7-15(18(16)22)20(26)25-10-9-14-17(11-25)23-12-24-19(14)13-5-2-1-3-6-13/h1-8,12H,9-11H2
InChIKeyVCJKLMCWHVGINW-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.65
Rot. Bonds2

About (2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

(2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (PubChem CID 86281421) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
PubChem CID86281421
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name(2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2ccccc2)C1
InChIInChI=1S/C20H15Cl2N3O/c21-16-8-4-7-15(18(16)22)20(26)25-10-9-14-17(11-25)23-12-24-19(14)13-5-2-1-3-6-13/h1-8,12H,9-11H2
InChIKeyVCJKLMCWHVGINW-UHFFFAOYSA-N
XLogP4.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-Chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950719
6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide
CID 67218711
(2,3-Dichlorophenyl)(1-phenyl-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)methanone
CID 86271660
[2-chloro-3-(trifluoromethyl)phenyl]-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 86281547
(2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 86281680
7-{[2-Chloro-3-(trifluoromethyl)phenyl]carbonyl}-2-methyl-4-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 86281948
(2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 90407576
[4-(3-Chlorophenyl)phenyl]-(2,2-dimethyl-4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 118708996
[4-(3-Chlorophenyl)phenyl]-(2,6-dimethyl-4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 118708997
(2,3-Dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 1246103
(4-Chlorophenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 46912153
(2,3-dichlorophenyl)-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 46937252

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (CID 86281421) is (2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2ccccc2)C1.
What is the InChIKey of (2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The InChIKey is VCJKLMCWHVGINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c21-16-8-4-7-15(18(16)22)20(26)25-10-9-14-17(11-25)23-12-24-19(14)13-5-2-1-3-6-13/h1-8,12H,9-11H2.
What are the key properties of (2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
(2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone has a molecular weight of 384.27 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is sourced from PubChem (CID 86281421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).