N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide

C23H26ClN3O4 — CID 18887260

IUPACN-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide
SMILESCOc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C23H26ClN3O4/c1-30-19-11-8-15(12-20(19)31-2)21-25-18-10-9-16(24)13-17(18)23(29)27(21)26-22(28)14-6-4-3-5-7-14/h8-14,21,25H,3-7H2,1-2H3,(H,26,28)
InChIKeyHUPSYQCIJPCYDV-UHFFFAOYSA-N
MW443.93 g/mol
LogP4.54
Rot. Bonds5

About N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide

N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide (PubChem CID 18887260) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide
PubChem CID18887260
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC NameN-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide
SMILESCOc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C23H26ClN3O4/c1-30-19-11-8-15(12-20(19)31-2)21-25-18-10-9-16(24)13-17(18)23(29)27(21)26-22(28)14-6-4-3-5-7-14/h8-14,21,25H,3-7H2,1-2H3,(H,26,28)
InChIKeyHUPSYQCIJPCYDV-UHFFFAOYSA-N
XLogP4.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide (CID 18887260) is N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide is COc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)C2CCCCC2)cc1OC.
What is the InChIKey of N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide?
The InChIKey is HUPSYQCIJPCYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-30-19-11-8-15(12-20(19)31-2)21-25-18-10-9-16(24)13-17(18)23(29)27(21)26-22(28)14-6-4-3-5-7-14/h8-14,21,25H,3-7H2,1-2H3,(H,26,28).
What are the key properties of N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide?
N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide has a molecular weight of 443.93 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 18887260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).