3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one

C16H14BrN3O — CID 119051463

IUPAC3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1CCCc1ccccc1Br
InChIInChI=1S/C16H14BrN3O/c17-14-8-2-1-5-12(14)6-4-10-20-11-19-15-13(16(20)21)7-3-9-18-15/h1-3,5,7-9,11H,4,6,10H2
InChIKeyQRCAITMZPTUNFU-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.19
Rot. Bonds4

About 3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one

3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 119051463) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID119051463
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1CCCc1ccccc1Br
InChIInChI=1S/C16H14BrN3O/c17-14-8-2-1-5-12(14)6-4-10-20-11-19-15-13(16(20)21)7-3-9-18-15/h1-3,5,7-9,11H,4,6,10H2
InChIKeyQRCAITMZPTUNFU-UHFFFAOYSA-N
XLogP3.19
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one (CID 119051463) is 3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1CCCc1ccccc1Br.
What is the InChIKey of 3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is QRCAITMZPTUNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-14-8-2-1-5-12(14)6-4-10-20-11-19-15-13(16(20)21)7-3-9-18-15/h1-3,5,7-9,11H,4,6,10H2.
What are the key properties of 3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one?
3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 344.21 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-bromophenyl)propyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 119051463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).