2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone

C15H14ClN3O — CID 90620885

IUPAC2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCc2ncncc2C1
InChIInChI=1S/C15H14ClN3O/c16-13-3-1-11(2-4-13)7-15(20)19-6-5-14-12(9-19)8-17-10-18-14/h1-4,8,10H,5-7,9H2
InChIKeyDGCCMBZIAUSXPM-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.26
Rot. Bonds2

About 2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone

2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone (PubChem CID 90620885) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
PubChem CID90620885
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCc2ncncc2C1
InChIInChI=1S/C15H14ClN3O/c16-13-3-1-11(2-4-13)7-15(20)19-6-5-14-12(9-19)8-17-10-18-14/h1-4,8,10H,5-7,9H2
InChIKeyDGCCMBZIAUSXPM-UHFFFAOYSA-N
XLogP2.26
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenyl)ethanone
CID 90620879
1-(3-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 46965556
1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one
CID 112536046
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone
CID 90620861
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-5-phenylpentane-1,5-dione
CID 121145050
2-cyclohexyl-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 90621003
N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzamide
CID 90620998
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone
CID 90620979
2-(4-chlorophenyl)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 33335069
2-[4-[2-(4-chlorophenyl)ethyl]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 175236348
(4-bromophenyl)-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 90621009
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
CID 90620866

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone (CID 90620885) is 2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone is O=C(Cc1ccc(Cl)cc1)N1CCc2ncncc2C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The InChIKey is DGCCMBZIAUSXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-13-3-1-11(2-4-13)7-15(20)19-6-5-14-12(9-19)8-17-10-18-14/h1-4,8,10H,5-7,9H2.
What are the key properties of 2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone has a molecular weight of 287.75 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 90620885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).