2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide

C22H18ClN3O2 — CID 30214253

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)Cn1cnc2ccc(Cl)cc2c1=O)c1cccc2ccccc12
InChIInChI=1S/C22H18ClN3O2/c1-2-26(20-9-5-7-15-6-3-4-8-17(15)20)21(27)13-25-14-24-19-11-10-16(23)12-18(19)22(25)28/h3-12,14H,2,13H2,1H3
InChIKeyRFJVTUZLAJPDAK-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.26
Rot. Bonds4

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide (PubChem CID 30214253) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide
PubChem CID30214253
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)Cn1cnc2ccc(Cl)cc2c1=O)c1cccc2ccccc12
InChIInChI=1S/C22H18ClN3O2/c1-2-26(20-9-5-7-15-6-3-4-8-17(15)20)21(27)13-25-14-24-19-11-10-16(23)12-18(19)22(25)28/h3-12,14H,2,13H2,1H3
InChIKeyRFJVTUZLAJPDAK-UHFFFAOYSA-N
XLogP4.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide (CID 30214253) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide is CCN(C(=O)Cn1cnc2ccc(Cl)cc2c1=O)c1cccc2ccccc12.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide?
The InChIKey is RFJVTUZLAJPDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-2-26(20-9-5-7-15-6-3-4-8-17(15)20)21(27)13-25-14-24-19-11-10-16(23)12-18(19)22(25)28/h3-12,14H,2,13H2,1H3.
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide has a molecular weight of 391.86 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 30214253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).