4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

C24H22ClN5O2S — CID 24720213

IUPAC4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3nc(-c4cccs4)nc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C24H22ClN5O2S/c1-32-18-7-5-17(6-8-18)26-24(31)30-12-10-29(11-13-30)23-19-9-4-16(25)15-20(19)27-22(28-23)21-3-2-14-33-21/h2-9,14-15H,10-13H2,1H3,(H,26,31)
InChIKeyHRAKDDLMNFKBNM-UHFFFAOYSA-N
MW479.99 g/mol
LogP5.37
Rot. Bonds4

About 4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 24720213) has the molecular formula C24H22ClN5O2S and a molecular weight of 479.99 g/mol. Its IUPAC name is 4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID24720213
Molecular FormulaC24H22ClN5O2S
Molecular Weight479.99 g/mol
Exact Mass479.12
IUPAC Name4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3nc(-c4cccs4)nc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C24H22ClN5O2S/c1-32-18-7-5-17(6-8-18)26-24(31)30-12-10-29(11-13-30)23-19-9-4-16(25)15-20(19)27-22(28-23)21-3-2-14-33-21/h2-9,14-15H,10-13H2,1H3,(H,26,31)
InChIKeyHRAKDDLMNFKBNM-UHFFFAOYSA-N
XLogP5.37
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chloro-2-nitrophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55411358
N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150
4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 24720206
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 118611759
4-[2-amino-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 140656979
4-(6,7-dimethoxy-2-phenylquinazolin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22707703
4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 24720201
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
4-[7-chloro-2-[(4-methylphenyl)carbamoylamino]quinolin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 21101709
4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 5131172
(3S)-4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)-3-methylpiperazine-1-carboxamide
CID 118611796

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 24720213) is 4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3nc(-c4cccs4)nc4cc(Cl)ccc34)CC2)cc1.
What is the InChIKey of 4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is HRAKDDLMNFKBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2S/c1-32-18-7-5-17(6-8-18)26-24(31)30-12-10-29(11-13-30)23-19-9-4-16(25)15-20(19)27-22(28-23)21-3-2-14-33-21/h2-9,14-15H,10-13H2,1H3,(H,26,31).
What are the key properties of 4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 479.99 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 24720213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).