4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide

C22H23Cl2N5O2 — CID 83282802

IUPAC4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCCc1nc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C22H23Cl2N5O2/c1-3-19-26-20-17(11-14(23)12-18(20)24)21(27-19)28-7-9-29(10-8-28)22(30)25-15-5-4-6-16(13-15)31-2/h4-6,11-13H,3,7-10H2,1-2H3,(H,25,30)
InChIKeyBOVATQPOIXUURO-UHFFFAOYSA-N
MW460.37 g/mol
LogP4.86
Rot. Bonds4

About 4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide

4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 83282802) has the molecular formula C22H23Cl2N5O2 and a molecular weight of 460.37 g/mol. Its IUPAC name is 4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID83282802
Molecular FormulaC22H23Cl2N5O2
Molecular Weight460.37 g/mol
Exact Mass459.12
IUPAC Name4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCCc1nc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C22H23Cl2N5O2/c1-3-19-26-20-17(11-14(23)12-18(20)24)21(27-19)28-7-9-29(10-8-28)22(30)25-15-5-4-6-16(13-15)31-2/h4-6,11-13H,3,7-10H2,1-2H3,(H,25,30)
InChIKeyBOVATQPOIXUURO-UHFFFAOYSA-N
XLogP4.86
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 42799982
4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113603
4-(5-chloro-2-methoxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113441
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-(6-ethoxy-2-pyridinyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 136524178
4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 4191800
4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 24720201
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122350638
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122335422
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 90561852

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 83282802) is 4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide is CCc1nc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is BOVATQPOIXUURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O2/c1-3-19-26-20-17(11-14(23)12-18(20)24)21(27-19)28-7-9-29(10-8-28)22(30)25-15-5-4-6-16(13-15)31-2/h4-6,11-13H,3,7-10H2,1-2H3,(H,25,30).
What are the key properties of 4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 460.37 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 83282802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).