2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide

C27H20ClN3O3 — CID 23119786

IUPAC2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide
SMILESO=C(Cc1cccc(-n2c(=O)[nH]c3cccc(Cl)c3c2=O)c1)NCc1cccc2ccccc12
InChIInChI=1S/C27H20ClN3O3/c28-22-12-5-13-23-25(22)26(33)31(27(34)30-23)20-10-3-6-17(14-20)15-24(32)29-16-19-9-4-8-18-7-1-2-11-21(18)19/h1-14H,15-16H2,(H,29,32)(H,30,34)
InChIKeyMYBDZZWFUCBEMI-UHFFFAOYSA-N
MW469.93 g/mol
LogP4.34
Rot. Bonds5

About 2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide

2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide (PubChem CID 23119786) has the molecular formula C27H20ClN3O3 and a molecular weight of 469.93 g/mol. Its IUPAC name is 2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide
PubChem CID23119786
Molecular FormulaC27H20ClN3O3
Molecular Weight469.93 g/mol
Exact Mass469.12
IUPAC Name2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide
SMILESO=C(Cc1cccc(-n2c(=O)[nH]c3cccc(Cl)c3c2=O)c1)NCc1cccc2ccccc12
InChIInChI=1S/C27H20ClN3O3/c28-22-12-5-13-23-25(22)26(33)31(27(34)30-23)20-10-3-6-17(14-20)15-24(32)29-16-19-9-4-8-18-7-1-2-11-21(18)19/h1-14H,15-16H2,(H,29,32)(H,30,34)
InChIKeyMYBDZZWFUCBEMI-UHFFFAOYSA-N
XLogP4.34
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide (CID 23119786) is 2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide is O=C(Cc1cccc(-n2c(=O)[nH]c3cccc(Cl)c3c2=O)c1)NCc1cccc2ccccc12.
What is the InChIKey of 2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide?
The InChIKey is MYBDZZWFUCBEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O3/c28-22-12-5-13-23-25(22)26(33)31(27(34)30-23)20-10-3-6-17(14-20)15-24(32)29-16-19-9-4-8-18-7-1-2-11-21(18)19/h1-14H,15-16H2,(H,29,32)(H,30,34).
What are the key properties of 2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide?
2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide has a molecular weight of 469.93 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 23119786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).