2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide

C21H20Cl2N4O2 — CID 130377664

IUPAC2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide
SMILESO=C(CC1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1)NO
InChIInChI=1S/C21H20Cl2N4O2/c22-15-3-1-14(2-4-15)16-10-17-19(11-18(16)23)24-12-25-21(17)27-7-5-13(6-8-27)9-20(28)26-29/h1-4,10-13,29H,5-9H2,(H,26,28)
InChIKeyKKZJNAQFNPWVKG-UHFFFAOYSA-N
MW431.32 g/mol
LogP4.72
Rot. Bonds4

About 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide

2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide (PubChem CID 130377664) has the molecular formula C21H20Cl2N4O2 and a molecular weight of 431.32 g/mol. Its IUPAC name is 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide
PubChem CID130377664
Molecular FormulaC21H20Cl2N4O2
Molecular Weight431.32 g/mol
Exact Mass430.10
IUPAC Name2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide
SMILESO=C(CC1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1)NO
InChIInChI=1S/C21H20Cl2N4O2/c22-15-3-1-14(2-4-15)16-10-17-19(11-18(16)23)24-12-25-21(17)27-7-5-13(6-8-27)9-20(28)26-29/h1-4,10-13,29H,5-9H2,(H,26,28)
InChIKeyKKZJNAQFNPWVKG-UHFFFAOYSA-N
XLogP4.72
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide (CID 130377664) is 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide is O=C(CC1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1)NO.
What is the InChIKey of 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide?
The InChIKey is KKZJNAQFNPWVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O2/c22-15-3-1-14(2-4-15)16-10-17-19(11-18(16)23)24-12-25-21(17)27-7-5-13(6-8-27)9-20(28)26-29/h1-4,10-13,29H,5-9H2,(H,26,28).
What are the key properties of 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide?
2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide has a molecular weight of 431.32 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide is sourced from PubChem (CID 130377664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).