(3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone

C20H16Cl2N2O2S — CID 1485940

IUPAC(3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1cc(-c2ccccn2)c(N2CCOCC2)s1
InChIInChI=1S/C20H16Cl2N2O2S/c21-15-5-4-13(11-16(15)22)19(25)18-12-14(17-3-1-2-6-23-17)20(27-18)24-7-9-26-10-8-24/h1-6,11-12H,7-10H2
InChIKeyUXPZZGHVSYVHDK-UHFFFAOYSA-N
MW419.33 g/mol
LogP5.18
Rot. Bonds4

About (3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone

(3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone (PubChem CID 1485940) has the molecular formula C20H16Cl2N2O2S and a molecular weight of 419.33 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone
PubChem CID1485940
Molecular FormulaC20H16Cl2N2O2S
Molecular Weight419.33 g/mol
Exact Mass418.03
IUPAC Name(3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1cc(-c2ccccn2)c(N2CCOCC2)s1
InChIInChI=1S/C20H16Cl2N2O2S/c21-15-5-4-13(11-16(15)22)19(25)18-12-14(17-3-1-2-6-23-17)20(27-18)24-7-9-26-10-8-24/h1-6,11-12H,7-10H2
InChIKeyUXPZZGHVSYVHDK-UHFFFAOYSA-N
XLogP5.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.33
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 59662158
CID 2912645
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CID 57275898
CID 57275898
CID 44536963
CID 44536963
CID 71781294
CID 71781294
CID 6496809
CID 6496809
CID 9936087
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CID 11842439
CID 11842439

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone (CID 1485940) is (3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)c1cc(-c2ccccn2)c(N2CCOCC2)s1.
What is the InChIKey of (3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone?
The InChIKey is UXPZZGHVSYVHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2S/c21-15-5-4-13(11-16(15)22)19(25)18-12-14(17-3-1-2-6-23-17)20(27-18)24-7-9-26-10-8-24/h1-6,11-12H,7-10H2.
What are the key properties of (3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone?
(3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone has a molecular weight of 419.33 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 1485940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).