5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide

C27H15Cl2N5O5S — CID 169238145

IUPAC5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(-n2c(=O)[nH]c(=O)c3ccc(Cl)cc32)c1)c1csc(-n2c(=O)[nH]c(=O)c3ccc(Cl)cc32)c1
InChIInChI=1S/C27H15Cl2N5O5S/c28-14-4-6-18-20(9-14)33(26(38)31-24(18)36)17-3-1-2-16(11-17)30-23(35)13-8-22(40-12-13)34-21-10-15(29)5-7-19(21)25(37)32-27(34)39/h1-12H,(H,30,35)(H,31,36,38)(H,32,37,39)
InChIKeyDBJKAVYELCLMNA-UHFFFAOYSA-N
MW592.42 g/mol
LogP4.29
Rot. Bonds4

About 5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide

5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide (PubChem CID 169238145) has the molecular formula C27H15Cl2N5O5S and a molecular weight of 592.42 g/mol. Its IUPAC name is 5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide
PubChem CID169238145
Molecular FormulaC27H15Cl2N5O5S
Molecular Weight592.42 g/mol
Exact Mass591.02
IUPAC Name5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(-n2c(=O)[nH]c(=O)c3ccc(Cl)cc32)c1)c1csc(-n2c(=O)[nH]c(=O)c3ccc(Cl)cc32)c1
InChIInChI=1S/C27H15Cl2N5O5S/c28-14-4-6-18-20(9-14)33(26(38)31-24(18)36)17-3-1-2-16(11-17)30-23(35)13-8-22(40-12-13)34-21-10-15(29)5-7-19(21)25(37)32-27(34)39/h1-12H,(H,30,35)(H,31,36,38)(H,32,37,39)
InChIKeyDBJKAVYELCLMNA-UHFFFAOYSA-N
XLogP4.29
TPSA138.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.42
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide (CID 169238145) is 5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide is O=C(Nc1cccc(-n2c(=O)[nH]c(=O)c3ccc(Cl)cc32)c1)c1csc(-n2c(=O)[nH]c(=O)c3ccc(Cl)cc32)c1.
What is the InChIKey of 5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is DBJKAVYELCLMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15Cl2N5O5S/c28-14-4-6-18-20(9-14)33(26(38)31-24(18)36)17-3-1-2-16(11-17)30-23(35)13-8-22(40-12-13)34-21-10-15(29)5-7-19(21)25(37)32-27(34)39/h1-12H,(H,30,35)(H,31,36,38)(H,32,37,39).
What are the key properties of 5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide?
5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 592.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 169238145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).