6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one

C18H14ClN3O — CID 25154762

IUPAC6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccc(Cl)cc2)=CC(c2c[nH]c3ccccc23)N1
InChIInChI=1S/C18H14ClN3O/c19-12-7-5-11(6-8-12)16-9-17(22-18(23)21-16)14-10-20-15-4-2-1-3-13(14)15/h1-10,17,20H,(H2,21,22,23)
InChIKeyKWPSIKFOUHBFLG-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.22
Rot. Bonds2

About 6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one

6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 25154762) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID25154762
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccc(Cl)cc2)=CC(c2c[nH]c3ccccc23)N1
InChIInChI=1S/C18H14ClN3O/c19-12-7-5-11(6-8-12)16-9-17(22-18(23)21-16)14-10-20-15-4-2-1-3-13(14)15/h1-10,17,20H,(H2,21,22,23)
InChIKeyKWPSIKFOUHBFLG-UHFFFAOYSA-N
XLogP4.22
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(oxolan-3-yl)-1H-indole
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(2S,4S)-6-chloro-2-(1H-indol-3-yl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one (CID 25154762) is 6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccc(Cl)cc2)=CC(c2c[nH]c3ccccc23)N1.
What is the InChIKey of 6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is KWPSIKFOUHBFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-12-7-5-11(6-8-12)16-9-17(22-18(23)21-16)14-10-20-15-4-2-1-3-13(14)15/h1-10,17,20H,(H2,21,22,23).
What are the key properties of 6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one?
6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 323.78 g/mol, XLogP of 4.22, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 25154762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).