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

C19H14Cl2N4O — CID 86281546

IUPAC(2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2ccccn2)C1
InChIInChI=1S/C19H14Cl2N4O/c20-14-5-3-4-13(17(14)21)19(26)25-9-7-12-16(10-25)23-11-24-18(12)15-6-1-2-8-22-15/h1-6,8,11H,7,9-10H2
InChIKeyOAMJRWUIWCSIBZ-UHFFFAOYSA-N
MW385.25 g/mol
LogP4.04
Rot. Bonds2

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

(2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (PubChem CID 86281546) has the molecular formula C19H14Cl2N4O and a molecular weight of 385.25 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
PubChem CID86281546
Molecular FormulaC19H14Cl2N4O
Molecular Weight385.25 g/mol
Exact Mass384.05
IUPAC Name(2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2ccccn2)C1
InChIInChI=1S/C19H14Cl2N4O/c20-14-5-3-4-13(17(14)21)19(26)25-9-7-12-16(10-25)23-11-24-18(12)15-6-1-2-8-22-15/h1-6,8,11H,7,9-10H2
InChIKeyOAMJRWUIWCSIBZ-UHFFFAOYSA-N
XLogP4.04
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (CID 86281546) is (2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2ccccn2)C1.
What is the InChIKey of (2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The InChIKey is OAMJRWUIWCSIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O/c20-14-5-3-4-13(17(14)21)19(26)25-9-7-12-16(10-25)23-11-24-18(12)15-6-1-2-8-22-15/h1-6,8,11H,7,9-10H2.
What are the key properties of (2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
(2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone has a molecular weight of 385.25 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is sourced from PubChem (CID 86281546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).